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Substance Name: HTN1 protein, human
RN: 101056-53-5
UNII: VYD7JF3NBC
InChIKey: CUOPXNHMMIAXEF-AKRYILKSSA-N

Note

  • RefSeq NM_002159.

Molecular Formula

  • C217-H298-N69-O64-P

Molecular Weight

  • 4928.1342
 
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Names and Synonyms

Name of Substance

  • HTN1 protein, human

Synonyms

  • Histatin 1
  • UNII-VYD7JF3NBC

Systematic Name

  • Histatin I (human parotid saliva)

Registry Numbers

CAS Registry Number

  • 101056-53-5

FDA UNII

  • VYD7JF3NBC

System Generated Number

  • 0101056535

Structure Descriptors

InChI

1S/C217H298N69O64P/c1-112(2)71-144(193(325)270-150(78-120-45-55-132(293)56-46-120)197(329)280-161(91-178(309)310)207(339)283-163(213(345)346)89-169(223)295)266-195(327)149(77-119-43-53-131(292)54-44-119)271-205(337)159(88-168(222)294)279-208(340)164(102-287)255-172(298)101-244-181(313)146(75-117-39-49-129(290)50-40-117)268-206(338)160(90-177(307)308)254-171(297)100-243-180(312)145(74-116-37-47-128(289)48-38-116)267-198(330)151(73-114-25-8-4-9-26-114)281-211(343)167-36-22-70-286(167)212(344)162(79-115-27-10-5-11-28-115)282-192(324)143(59-62-175(303)304)263-186(318)139(34-20-68-241-216(228)229)262-199(331)154(82-123-94-234-107-248-123)277-209(341)165(103-288)284-204(336)158(86-127-98-238-111-252-127)276-203(335)157(85-126-97-237-110-251-126)273-188(320)136(31-14-17-65-220)258-191(323)142(58-61-174(301)302)264-200(332)153(81-122-93-233-106-247-122)275-196(328)148(72-113-23-6-3-7-24-113)269-187(319)135(30-13-16-64-219)256-184(316)137(32-18-66-239-214(224)225)259-185(317)138(33-19-67-240-215(226)227)261-194(326)147(76-118-41-51-130(291)52-42-118)253-170(296)99-245-182(314)152(80-121-92-232-105-246-121)272-202(334)156(84-125-96-236-109-250-125)274-189(321)140(35-21-69-242-217(230)231)260-183(315)134(29-12-15-63-218)257-190(322)141(57-60-173(299)300)265-201(333)155(83-124-95-235-108-249-124)278-210(342)166(104-350-351(347,348)349)285-179(311)133(221)87-176(305)306/h3-11,23-28,37-56,92-98,105-112,133-167,287-293H,12-22,29-36,57-91,99-104,218-221H2,1-2H3,(H2,222,294)(H2,223,295)(H,232,246)(H,233,247)(H,234,248)(H,235,249)(H,236,250)(H,237,251)(H,238,252)(H,243,312)(H,244,313)(H,245,314)(H,253,296)(H,254,297)(H,255,298)(H,256,316)(H,257,322)(H,258,323)(H,259,317)(H,260,315)(H,261,326)(H,262,331)(H,263,318)(H,264,332)(H,265,333)(H,266,327)(H,267,330)(H,268,338)(H,269,319)(H,270,325)(H,271,337)(H,272,334)(H,273,320)(H,274,321)(H,275,328)(H,276,335)(H,277,341)(H,278,342)(H,279,340)(H,280,329)(H,281,343)(H,282,324)(H,283,339)(H,284,336)(H,285,311)(H,299,300)(H,301,302)(H,303,304)(H,305,306)(H,307,308)(H,309,310)(H,345,346)(H4,224,225,239)(H4,226,227,240)(H4,228,229,241)(H4,230,231,242)(H2,347,348,349)/t133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-/m0/s1

InChIKey

CUOPXNHMMIAXEF-AKRYILKSSA-N

Smiles

[H]/N=C(\N)/NCCC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@@H](Cc4cnc[nH]4)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc5cnc[nH]5)C(=O)N[C@@H](CCCN/C(=N/[H])/N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc6ccccc6)C(=O)N7CCC[C@H]7C(=O)N[C@@H](Cc8ccccc8)C(=O)N[C@@H](Cc9ccc(cc9)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@H](CCCN/C(=N/[H])/N)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN/C(=N/[H])/N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](COP(=O)(O)O)NC(=O)[C@H](CC(=O)O)N