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CHEBI:233836 - (3S,6Z)-3-hydroxydodecenoyl-CoA(4−)

ChEBI IDCHEBI:233836
ChEBI Name(3S,6Z)-3-hydroxydodecenoyl-CoA(4−)
Stars
ASCII Name(3S,6Z)-3-hydroxydodecenoyl-CoA(4-)
Submitterlaimo
DownloadsMolfile
FormulaC33H52N7O18P3S
Net Charge-4
Average Mass959.799
Monoisotopic Mass959.23243
SMILESCCCCC/C=C\CC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
InChIInChI=1S/C33H56N7O18P3S/c1-4-5-6-7-8-9-10-11-21(41)16-24(43)62-15-14-35-23(42)12-13-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h8-9,19-22,26-28,32,41,44-45H,4-7,10-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/p-4/b9-8-/t21-,22+,26+,27+,28-,32+/m0/s1
InChIKeyXPCGRNRSXHPWGU-MQKGXVDMSA-J
ChEBI Ontology
Outgoing Relation(s)
(3S,6Z)-3-hydroxydodecenoyl-CoA(4−) (CHEBI:233836) is a medium-chain (3S)-hydroxy fatty acyl-CoA(4−) (CHEBI:191200)
(3S,6Z)-3-hydroxydodecenoyl-CoA(4−) (CHEBI:233836) is a monounsaturated fatty acyl-CoA(4−) (CHEBI:77331)
Synonym  Source
CoA 3S-OH-12:1(6Z)(4−)SUBMITTER
UniProt Name  Source
(3S)-hydroxy-(6Z)-dodecenoyl-CoAUniProt