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Substance Name: Propionyl-coenzyme A
RN: 317-66-8
UNII: H7HQA57V5H
InChIKey: QAQREVBBADEHPA-IEXPHMLFSA-N

Molecular Formula

  • C24-H40-N7-O17-P3-S

Molecular Weight

  • 823.6
 
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Names and Synonyms

Name of Substance

  • Propionyl-coenzyme A

Synonyms

  • EINECS 206-266-6
  • UNII-H7HQA57V5H

Systematic Name

  • S-Propionylcoenzyme A

Registry Numbers

CAS Registry Number

  • 317-66-8

FDA UNII

  • H7HQA57V5H

System Generated Number

  • 0000317668

Structure Descriptors

InChI

1S/C24H40N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,34-35H,4-10H2,1-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t13-,17-,18-,19+,23-/m1/s1

InChIKey

QAQREVBBADEHPA-IEXPHMLFSA-N

Smiles

N(C(CCNC(=O)[C@H](O)C(CO[P@@](O)(=O)O[P@@](OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(O)(=O)O)O)n1c2c(c(N)ncn2)nc1)(=O)O)(C)C)=O)CCSC(=O)CC