Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Secretin (pig), 2-hydroxy-1,2,3-propanetricarboxylate (salt)
RN: 67307-60-2
InChIKey: NQRAFZRVWDDECI-MREVIWKZSA-N

Molecular Formula

  • C130-H220-N44-O41.x-C6-H8-O7

Molecular Weight

  • 3246.5691
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • EINECS 266-641-5

Systematic Name

  • Secretin (pig), 2-hydroxy-1,2,3-propanetricarboxylate (salt)

Registry Numbers

CAS Registry Number

  • 67307-60-2

Related Registry Number

  • 1393-25-5 (Parent)

System Generated Number

  • 0067307602

Molecular Formulas

Molecular Formula

  • C130-H220-N44-O41.x-C6-H8-O7

Molecular Formula Fragments

  • C130-H220-N44-O41
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C131H221N43O41.C6H8O7/c1-61(2)45-83(121(209)173-101(67(13)14)104(134)192)153-95(182)55-149-108(196)79(33-38-98(186)187)159-117(205)86(48-64(7)8)167-119(207)87(49-65(9)10)165-112(200)76(29-23-43-146-130(139)140)155-114(202)81(31-36-93(133)180)161-118(206)85(47-63(5)6)163-111(199)74(27-21-41-144-128(135)136)154-105(193)68(15)152-94(181)54-148-107(195)78(32-37-97(184)185)158-110(198)75(28-22-42-145-129(137)138)156-116(204)84(46-62(3)4)164-113(201)77(30-24-44-147-131(141)142)157-124(212)91(58-176)170-120(208)88(50-66(11)12)166-115(203)82(35-40-100(190)191)162-125(213)92(59-177)171-127(215)103(70(17)179)174-122(210)89(51-71-25-19-18-20-26-71)168-126(214)102(69(16)178)172-96(183)56-150-109(197)80(34-39-99(188)189)160-123(211)90(57-175)169-106(194)73(132)52-72-53-143-60-151-72;7-3(8)1-6(13,5(11)12)2-4(9)10/h18-20,25-26,53,60-70,73-92,101-103,175-179H,21-24,27-52,54-59,132H2,1-17H3,(H2,133,180)(H2,134,192)(H,143,151)(H,148,195)(H,149,196)(H,150,197)(H,152,181)(H,153,182)(H,154,193)(H,155,202)(H,156,204)(H,157,212)(H,158,198)(H,159,205)(H,160,211)(H,161,206)(H,162,213)(H,163,199)(H,164,201)(H,165,200)(H,166,203)(H,167,207)(H,168,214)(H,169,194)(H,170,208)(H,171,215)(H,172,183)(H,173,209)(H,174,210)(H,184,185)(H,186,187)(H,188,189)(H,190,191)(H4,135,136,144)(H4,137,138,145)(H4,139,140,146)(H4,141,142,147);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t68-,69+,70+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,101-,102-,103-;/m0./s1

InChIKey

NQRAFZRVWDDECI-MREVIWKZSA-N

Smiles

C[C@H]([C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)N)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O