EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:232888 - (2E,11Z)-docosadi-2,11-enoyl-CoA(4−)

ChEBI IDCHEBI:232888
ChEBI Name(2E,11Z)-docosadi-2,11-enoyl-CoA(4−)
Stars
ASCII Name(2E,11Z)-docosadi-2,11-enoyl-CoA(4-)
Submitterlaimo
DownloadsMolfile
FormulaC43H70N7O17P3S
Net Charge-4
Average Mass1082.054
Monoisotopic Mass1081.37837
SMILESCCCCCCCCCC/C=C\CCCCCCC/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/C43H74N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h13-14,22-23,30-32,36-38,42,53-54H,4-12,15-21,24-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/b14-13-,23-22+/t32-,36-,37-,38+,42-/m1/s1
InChIKeyYJOHPYGLIIVTCO-WRSCFHFHSA-J
ChEBI Ontology
Outgoing Relation(s)
(2E,11Z)-docosadi-2,11-enoyl-CoA(4−) (CHEBI:232888) has functional parent cetoleate (CHEBI:32429)
(2E,11Z)-docosadi-2,11-enoyl-CoA(4−) (CHEBI:232888) is a long-chain 2,3-trans-enoyl CoA(4−) (CHEBI:83727)
Synonyms  Source
trans-2,cis-11-docosadienoyl-CoA(4−)SUBMITTER
22:2(2E,11Z)-CoA(4−)SUBMITTER
UniProt Name  Source
(2E,11Z)-docosadienoyl-CoAUniProt