CHEBI:74091 - (7Z,10Z,13Z,16Z)-(S)3-hydroxydocosatetraenoyl-CoA(4−)

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ChEBI Name (7Z,10Z,13Z,16Z)-(S)3-hydroxydocosatetraenoyl-CoA(4−)
ChEBI ID CHEBI:74091
ChEBI ASCII Name (7Z,10Z,13Z,16Z)-(S)3-hydroxydocosatetraenoyl-CoA(4-)
Definition is_a CHEBI:57318
Stars This entity has been manually annotated by a third party.
Submitter abridge
Supplier Information
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Formula C43H66N7O18P3S
Net Charge -4
Average Mass 1094.00780
Monoisotopic Mass 1093.34198
InChI InChI=1S/C43H70N7O18P3S/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/h8-9,11-12,14-15,17-18,29-32,36-38,42,51,54-55H,4-7,10,13,16,19-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/p-4/b9-8-,12-11-,15-14-,18-17-/t31-,32+,36+,37+,38-,42+/m0/s1
InChIKey JHXLRLHTJYMVBK-QQIWTAIOSA-J
SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCC[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]([C@H](O)[C@@H]1OP([O-])([O-])=O)n2cnc3c(N)ncnc23
ChEBI Ontology
Outgoing (7Z,10Z,13Z,16Z)-(S)3-hydroxydocosatetraenoyl-CoA(4−) (CHEBI:74091) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
Last Modified
11 August 2021