CHEBI:232777 - (3E)-hexadec-3-enoyl-CoA(4−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (3E)-hexadec-3-enoyl-CoA(4−)
ChEBI ID CHEBI:232777
ChEBI ASCII Name (3E)-hexadec-3-enoyl-CoA(4-)
Stars This entity has been manually annotated by a third party.
Submitter laimo
Supplier Information
Download Molfile XML SDF
Formula C37H60N7O17P3S
Net Charge -4
Average Mass 999.900
Monoisotopic Mass 999.30012
InChI InChI=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/h15-16,24-26,30-32,36,47-48H,4-14,17-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b16-15+/t26-,30-,31-,32+,36-/m1/s1
InChIKey JWIOCVLVSIALOL-IIPGVNECSA-J
SMILES C(=C/CCCCCCCCCCCC)\CC(=O)SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]1O[C@@H](N2C3=C(C(=NC=N3)N)N=C2)[C@@H]([C@@H]1OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O
ChEBI Ontology
Outgoing (3E)-hexadec-3-enoyl-CoA(4−) (CHEBI:232777) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
(3E)-hexadec-3-enoyl-CoA(4−) (CHEBI:232777) is a monounsaturated fatty acyl-CoA(4−) (CHEBI:77331)
Synonyms Sources
(3E)-hexadecenoyl-CoA UniProt
(3E)-hexadecenoyl-CoA(4−) SUBMITTER
16:1(3E)-CoA(4−) SUBMITTER
cis-3-hexadecenoyl-CoA(4−) SUBMITTER