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CHEBI:232718 - (3S,13Z)-3-hydroxydocosenoyl-CoA(4−)

ChEBI IDCHEBI:232718
ChEBI Name(3S,13Z)-3-hydroxydocosenoyl-CoA(4−)
Stars
ASCII Name(3S,13Z)-3-hydroxydocosenoyl-CoA(4-)
Submitterlaimo
DownloadsMolfile
FormulaC43H72N7O18P3S
Net Charge-4
Average Mass1100.069
Monoisotopic Mass1099.38893
SMILESCCCCCCCC/C=C\CCCCCCCCC[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/C43H76N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h11-12,29-32,36-38,42,51,54-55H,4-10,13-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/p-4/b12-11-/t31-,32+,36+,37+,38-,42+/m0/s1
InChIKeyFIPHCVZAQUEADL-GXBGOWBASA-J
ChEBI Ontology
Outgoing Relation(s)
(3S,13Z)-3-hydroxydocosenoyl-CoA(4−) (CHEBI:232718) is a long-chain (3S)-hydroxy fatty acyl-CoA(4−) (CHEBI:136757)
(3S,13Z)-3-hydroxydocosenoyl-CoA(4−) (CHEBI:232718) is a monounsaturated fatty acyl-CoA(4−) (CHEBI:77331)
Synonym  Source
(S)-3-OH-22:1(13Z)-CoA(4−)SUBMITTER
UniProt Name  Source
(3S)-hydroxy-(13Z)-docosenoyl-CoAUniProt