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Substance Name: Toxin II, entero- (Escherichia coli heat-stable precursor reduced) 71
RN: 88025-48-3
InChIKey: FHQRCWFDMYNHTH-UDBMFNSWSA-N

Molecular Formula

  • C336-H539-N93-O96-S7

Molecular Weight

  • 7641.9711
 
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Names and Synonyms

  • Toxin II, entero- (Escherichia coli heat-stable precursor reduced) 71

Registry Numbers

CAS Registry Number

  • 88025-48-3

System Generated Number

  • 0088025483

Structure Descriptors

InChI

1S/C336H539N93O96S7/c1-40-172(19)263(327(517)374-184(31)275(465)380-203(89-61-69-120-339)287(477)390-215(109-114-257(454)455)297(487)415-237(157-432)318(508)419-242(162-528)321(511)388-206(92-64-72-123-342)289(479)383-202(88-60-68-119-338)283(473)360-151-252(448)377-223(136-191-79-51-45-52-80-191)307(497)398-218(131-165(5)6)284(474)363-153-254(450)420-260(169(13)14)325(515)393-210(96-76-127-358-336(354)355)294(484)408-233(146-258(456)457)286(476)364-154-255(451)421-267(187(34)435)331(521)372-176(23)270(460)359-149-250(446)367-178(25)273(463)417-240(160-526)323(513)402-222(135-190-77-49-44-50-78-190)285(475)362-150-251(447)366-177(24)272(462)381-212(106-111-245(347)441)299(489)425-266(175(22)43-4)330(520)395-217(117-130-532-39)301(491)422-261(170(15)16)324(514)373-179(26)271(461)368-180(27)274(464)379-201(87-59-67-118-337)282(472)361-152-253(449)378-243(163-529)334(524)525)424-300(490)213(107-112-246(348)442)389-291(481)209(95-75-126-357-335(352)353)387-308(498)226(141-196-99-103-199(439)104-100-196)404-311(501)229(142-197-148-356-164-365-197)405-295(485)214(108-113-256(452)453)391-322(512)241(161-527)418-306(496)221(134-168(11)12)401-313(503)234(147-259(458)459)409-293(483)208(94-66-74-125-344)385-290(480)205(91-63-71-122-341)386-312(502)231(144-248(350)444)407-317(507)236(156-431)414-296(486)211(105-110-244(346)440)394-332(522)269(189(36)437)429-320(510)238(158-433)413-279(469)183(30)370-303(493)224(140-195-97-101-198(438)102-98-195)396-276(466)181(28)371-304(494)230(143-247(349)443)411-333(523)268(188(35)436)428-280(470)186(33)376-329(519)265(174(21)42-3)427-319(509)239(159-434)416-310(500)227(138-193-83-55-47-56-84-193)410-326(516)262(171(17)18)423-314(504)228(139-194-85-57-48-58-86-194)403-298(488)216(116-129-531-38)392-316(506)235(155-430)412-278(468)182(29)369-302(492)219(132-166(7)8)399-305(495)220(133-167(9)10)400-309(499)225(137-192-81-53-46-54-82-192)397-277(467)185(32)375-328(518)264(173(20)41-2)426-315(505)232(145-249(351)445)406-292(482)207(93-65-73-124-343)384-288(478)204(90-62-70-121-340)382-281(471)200(345)115-128-530-37/h44-58,77-86,97-104,148,164-189,200-243,260-269,430-439,526-529H,40-43,59-76,87-96,105-147,149-163,337-345H2,1-39H3,(H2,346,440)(H2,347,441)(H2,348,442)(H2,349,443)(H2,350,444)(H2,351,445)(H,356,365)(H,359,460)(H,360,473)(H,361,472)(H,362,475)(H,363,474)(H,364,476)(H,366,447)(H,367,446)(H,368,461)(H,369,492)(H,370,493)(H,371,494)(H,372,521)(H,373,514)(H,374,517)(H,375,518)(H,376,519)(H,377,448)(H,378,449)(H,379,464)(H,380,465)(H,381,462)(H,382,471)(H,383,479)(H,384,478)(H,385,480)(H,386,502)(H,387,498)(H,388,511)(H,389,481)(H,390,477)(H,391,512)(H,392,506)(H,393,515)(H,394,522)(H,395,520)(H,396,466)(H,397,467)(H,398,497)(H,399,495)(H,400,499)(H,401,503)(H,402,513)(H,403,488)(H,404,501)(H,405,485)(H,406,482)(H,407,507)(H,408,484)(H,409,483)(H,410,516)(H,411,523)(H,412,468)(H,413,469)(H,414,486)(H,415,487)(H,416,500)(H,417,463)(H,418,496)(H,419,508)(H,420,450)(H,421,451)(H,422,491)(H,423,504)(H,424,490)(H,425,489)(H,426,505)(H,427,509)(H,428,470)(H,429,510)(H,452,453)(H,454,455)(H,456,457)(H,458,459)(H,524,525)(H4,352,353,357)(H4,354,355,358)/t172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187+,188+,189+,200-,201-,202-,203-,204-,205-,206-,207-,208-,209-,210-,211-,212-,213-,214-,215-,216-,217-,218-,219-,220-,221-,222-,223-,224-,225-,226-,227-,228-,229-,230-,231-,232-,233-,234-,235-,236-,237-,238-,239-,240-,241-,242-,243-,260-,261-,262-,263-,264-,265-,266-,267-,268-,269-/m0/s1

InChIKey

FHQRCWFDMYNHTH-UDBMFNSWSA-N