CHEBI:76416 - (2E,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA(4−)

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ChEBI Name (2E,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA(4−)
ChEBI ID CHEBI:76416
ChEBI ASCII Name (2E,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA(4-)
Definition A 2,3-trans-enoyl(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of (2E,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter laimo
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C43H64N7O17P3S
Net Charge -4
Average Mass 1075.99100
Monoisotopic Mass 1075.33142
InChI InChI=1S/C43H68N7O17P3S/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/h8-9,11-12,14-15,17-18,22-23,30-32,36-38,42,53-54H,4-7,10,13,16,19-21,24-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/b9-8-,12-11-,15-14-,18-17-,23-22+/t32-,36-,37-,38+,42-/m1/s1
InChIKey XSIBQUOFLNIVEK-XPBIURITSA-J
SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCC\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]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
ChEBI Ontology
Outgoing (2E,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA(4−) (CHEBI:76416) is a 2,3-trans-enoyl CoA(4−) (CHEBI:58856)
(2E,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA(4−) (CHEBI:76416) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
(2E,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA(4−) (CHEBI:76416) is conjugate base of (2E,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA (CHEBI:76542)
Incoming (2E,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA (CHEBI:76542) is conjugate acid of (2E,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA(4−) (CHEBI:76416)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2E,7Z,10Z,13Z,16Z)-docosa-2,7,10,13,16-pentaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms Sources
(2E,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA UniProt
(2E,7Z,10Z,13Z,16Z)-docosapentaenoyl-coenzyme A(4−) ChEBI
2trans,7cis,10cis,13cis,16cis-docosapentaenoyl-CoA(4−) SUBMITTER
Last Modified
27 July 2021