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CHEBI:140720 - (S)-3-hydroxyhexacosanoyl-CoA(4-)

ChEBI IDCHEBI:140720
ChEBI Name(S)-3-hydroxyhexacosanoyl-CoA(4-)
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC47H82N7O18P3S
Net Charge-4
Average Mass1158.193
Monoisotopic Mass1157.46718
SMILESCCCCCCCCCCCCCCCCCCCCCCC[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/C47H86N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-35(55)30-38(57)76-29-28-49-37(56)26-27-50-45(60)42(59)47(2,3)32-69-75(66,67)72-74(64,65)68-31-36-41(71-73(61,62)63)40(58)46(70-36)54-34-53-39-43(48)51-33-52-44(39)54/h33-36,40-42,46,55,58-59H,4-32H2,1-3H3,(H,49,56)(H,50,60)(H,64,65)(H,66,67)(H2,48,51,52)(H2,61,62,63)/p-4/t35-,36+,40+,41+,42-,46+/m0/s1
InChIKeyGBMJOTOUUWGTIA-FUMULLQGSA-J
ChEBI Ontology
Outgoing Relation(s)
(S)-3-hydroxyhexacosanoyl-CoA(4-) (CHEBI:140720) is a organic molecular entity (CHEBI:50860)