EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:232776 - (2E,4Z)-hexadecadi-2,4-enoyl-CoA(4−)

ChEBI IDCHEBI:232776
ChEBI Name(2E,4Z)-hexadecadi-2,4-enoyl-CoA(4−)
Stars
ASCII Name(2E,4Z)-hexadecadi-2,4-enoyl-CoA(4-)
Submitterlaimo
DownloadsMolfile
FormulaC37H58N7O17P3S
Net Charge-4
Average Mass997.892
Monoisotopic Mass997.28447
SMILESCCCCCCCCCCC/C=C\C=C\C(=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/C37H62N7O17P3S/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/h14-17,24-26,30-32,36,47-48H,4-13,18-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b15-14-,17-16+/t26-,30-,31-,32+,36-/m1/s1
InChIKeyFEGBOLMMGHZSSY-MMECENNSSA-J
ChEBI Ontology
Outgoing Relation(s)
(2E,4Z)-hexadecadi-2,4-enoyl-CoA(4−) (CHEBI:232776) is a (2E,4Z)-dienoyl-CoA(4−) (CHEBI:85099)
(2E,4Z)-hexadecadi-2,4-enoyl-CoA(4−) (CHEBI:232776) is a long-chain 2,3-trans-enoyl CoA(4−) (CHEBI:83727)
Synonyms  Source
(2E,4Z)-hexadecadienoyl-CoA(4−)SUBMITTER
trans-2,cis-4-hexadecadienoyl-CoA(4−)SUBMITTER
16:2(2E,4Z)-CoA(4−)SUBMITTER
UniProt Name  Source
(2E,4Z)-hexadecadienoyl-CoAUniProt