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Substance Name: Proteinase inhibitor I (plants)
RN: 37228-81-2
InChIKey: CQICJBGZOAPVCW-HUJLGPAHSA-N

Note

  • Protein with single disulfide bond from potato tubers, tomatoes & beans; pentamer MW 41,000.

Classification Codes

  • Enzyme Inhibitors
  • Protease Inhibitors

Molecular Weight

  • 9531.9949
 
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Names and Synonyms

Name of Substance

  • Proteinase inhibitor I (plants)

Synonym

  • Chymotrypsin inhibitor 1

Systematic Name

  • Proteinase inhibitor, potato, I

Registry Numbers

CAS Registry Number

  • 37228-81-2

System Generated Number

  • 0037228812

Structure Descriptors

InChI

1S/C421H691N119O126S3/c1-55-214(41)327-394(644)462-191-304(561)517-326(213(39)40)413(663)539-161-93-116-290(539)393(643)533-335(224(51)544)408(658)486-240(106-76-82-151-427)349(599)492-260(165-199(11)12)368(618)464-222(49)338(588)469-235(101-71-77-146-422)340(590)458-190-305(562)518-328(215(42)56-2)406(656)531-332(219(46)60-6)403(653)489-255(130-142-312(574)575)355(605)472-239(105-75-81-150-426)348(598)478-251(126-138-308(566)567)357(607)503-273(179-298(436)555)377(627)514-282(194-542)385(635)497-266(171-205(23)24)381(631)529-333(220(47)61-7)407(657)535-337(226(53)546)410(660)511-275(181-300(438)557)382(632)522-321(208(29)30)397(647)487-248(123-135-293(431)550)366(616)527-329(216(43)57-3)405(655)510-264(169-203(19)20)372(622)496-263(168-202(17)18)371(621)501-270(176-295(433)552)342(592)461-189-303(560)468-283(195-543)412(662)538-160-91-115-289(538)392(642)524-325(212(37)38)401(651)534-336(225(52)545)409(659)491-258(145-163-667-54)362(612)507-278(184-317(584)585)378(628)500-269(174-229-117-119-231(547)120-118-229)373(623)474-242(108-85-154-453-418(443)444)352(602)515-285(388(638)505-272(178-297(435)554)376(626)475-244(110-87-156-455-420(447)448)363(613)520-320(207(27)28)396(646)485-243(109-86-155-454-419(445)446)350(600)493-262(167-201(15)16)370(620)499-268(173-228-96-67-64-68-97-228)375(625)508-279(185-318(586)587)379(629)504-274(180-299(437)556)383(633)528-330(217(44)58-4)404(654)509-259(164-198(9)10)341(591)459-188-302(559)467-277(183-316(582)583)384(634)523-323(210(33)34)399(649)525-322(209(31)32)398(648)488-249(124-136-294(432)551)367(617)532-334(221(48)62-8)414(664)540-162-92-114-288(540)391(641)482-245(111-88-157-456-421(449)450)364(614)519-319(206(25)26)395(645)465-223(50)415(665)666)197-669-668-196-284(387(637)502-271(177-296(434)553)343(593)460-187-301(558)466-236(102-72-78-147-423)345(595)476-246(121-133-291(429)548)353(603)473-241(107-84-153-452-417(441)442)351(601)512-280(175-230-186-457-234-100-70-69-98-232(230)234)411(661)537-159-90-113-287(537)390(640)483-254(129-141-311(572)573)358(608)495-265(170-204(21)22)380(630)526-327)516-361(611)253(128-140-310(570)571)481-374(624)267(172-227-94-65-63-66-95-227)498-356(606)250(125-137-307(564)565)477-347(597)238(104-74-80-149-425)471-354(604)247(122-134-292(430)549)480-369(619)261(166-200(13)14)494-359(609)256(131-143-313(576)577)490-402(652)331(218(45)59-5)530-400(650)324(211(35)36)521-365(615)257(132-144-314(578)579)484-389(639)286-112-89-158-536(286)306(563)192-463-344(594)276(182-315(580)581)506-386(636)281(193-541)513-360(610)252(127-139-309(568)569)479-346(596)237(103-73-79-148-424)470-339(589)233(428)99-83-152-451-416(439)440/h63-70,94-98,100,117-120,186,198-226,233,235-290,319-337,457,541-547H,55-62,71-93,99,101-116,121-185,187-197,422-428H2,1-54H3,(H2,429,548)(H2,430,549)(H2,431,550)(H2,432,551)(H2,433,552)(H2,434,553)(H2,435,554)(H2,436,555)(H2,437,556)(H2,438,557)(H,458,590)(H,459,591)(H,460,593)(H,461,592)(H,462,644)(H,463,594)(H,464,618)(H,465,645)(H,466,558)(H,467,559)(H,468,560)(H,469,588)(H,470,589)(H,471,604)(H,472,605)(H,473,603)(H,474,623)(H,475,626)(H,476,595)(H,477,597)(H,478,598)(H,479,596)(H,480,619)(H,481,624)(H,482,641)(H,483,640)(H,484,639)(H,485,646)(H,486,658)(H,487,647)(H,488,648)(H,489,653)(H,490,652)(H,491,659)(H,492,599)(H,493,600)(H,494,609)(H,495,608)(H,496,622)(H,497,635)(H,498,606)(H,499,620)(H,500,628)(H,501,621)(H,502,637)(H,503,607)(H,504,629)(H,505,638)(H,506,636)(H,507,612)(H,508,625)(H,509,654)(H,510,655)(H,511,660)(H,512,601)(H,513,610)(H,514,627)(H,515,602)(H,516,611)(H,517,561)(H,518,562)(H,519,614)(H,520,613)(H,521,615)(H,522,632)(H,523,634)(H,524,642)(H,525,649)(H,526,630)(H,527,616)(H,528,633)(H,529,631)(H,530,650)(H,531,656)(H,532,617)(H,533,643)(H,534,651)(H,535,657)(H,564,565)(H,566,567)(H,568,569)(H,570,571)(H,572,573)(H,574,575)(H,576,577)(H,578,579)(H,580,581)(H,582,583)(H,584,585)(H,586,587)(H,665,666)(H4,439,440,451)(H4,441,442,452)(H4,443,444,453)(H4,445,446,454)(H4,447,448,455)(H4,449,450,456)/t214-,215-,216-,217-,218-,219-,220-,221-,222-,223-,224+,225+,226+,233-,235-,236-,237-,238-,239-,240-,241-,242-,243-,244-,245-,246-,247-,248-,249-,250-,251-,252-,253-,254-,255-,256-,257-,258-,259-,260-,261-,262-,263-,264-,265-,266-,267-,268-,269-,270-,271-,272-,273-,274-,275-,276-,277-,278-,279-,280-,281-,282-,283-,284-,285-,286-,287-,288-,289-,290-,319-,320-,321-,322-,323-,324-,325-,326-,327-,328-,329-,330-,331-,332-,333-,334-,335-,336-,337-/m0/s1

InChIKey

CQICJBGZOAPVCW-HUJLGPAHSA-N

Smiles

CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]4CCCN4C(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)N7CCC[C@H]7C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N8CCC[C@H]8C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)N[C@@H](CO)C(=O)N9CCC[C@H]9C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc%10ccc(O)cc%10)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N%11CCC[C@H]%11C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)O