EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:87698 - (7Z)-hexadecenoyl-CoA(4−)

ChEBI IDCHEBI:87698
ChEBI Name(7Z)-hexadecenoyl-CoA(4−)
Stars
ASCII Name(7Z)-hexadecenoyl-CoA(4-)
DefinitionA hexadecenoyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of (7Z)-hexadecenoyl-CoA; major species at pH 7.3.
Last Modified2 February 2018
Submitterlaimo
DownloadsMolfile
FormulaC37H60N7O17P3S
Net Charge-4
Average Mass999.908
Monoisotopic Mass999.30012
SMILESCCCCCCCC/C=C\CCCCCC(=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/C37H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h11-12,24-26,30-32,36,47-48H,4-10,13-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b12-11-/t26-,30-,31-,32+,36-/m1/s1
InChIKeyMJWMOLDKMBISOB-YDGGZUKGSA-J
ChEBI Ontology
Outgoing Relation(s)
(7Z)-hexadecenoyl-CoA(4−) (CHEBI:87698) is a hexadecenoyl-CoA(4−) (CHEBI:139572)
(7Z)-hexadecenoyl-CoA(4−) (CHEBI:87698) is conjugate base of (7Z)-hexadecenoyl-CoA (CHEBI:88008)
Incoming Relation(s)
(7Z)-hexadecenoyl-CoA (CHEBI:88008) is conjugate acid of (7Z)-hexadecenoyl-CoA(4−) (CHEBI:87698)
Synonyms  Source
cis-hexadec-7-enoyl-CoA(4−)ChEBI
cis-hexadec-7-enoyl-coenzyme A(4−)ChEBI
(7Z)-hexadecenoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
(7Z)-hexadecenoyl-CoAUniProt