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(2E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM97365

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	1

formula

C₄₃H₆₂N₇O₁₇P₃S

charge

-4

mass

1073.31577

reference

chebi:76461

InChIKey

HGVXUTAEZALTIG-HKHRKLHHSA-J

InChI

InChI=1S/C43H66N7O17P3S/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/h5-6,8-9,11-12,14-15,17-18,22-23,30-32,36-38,42,53-54H,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/b6-5-,9-8-,12-11-,15-14-,18-17-,23-22+/t32-,36-,37-,38+,42-/m1/s1

SMILES

CC/C=C\C/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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:76461 chebi:76461	(2E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA (2E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA(4-) (2E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-coenzyme A(4-) 2trans,7cis,10cis,13cis,16cis,19cis-docosahexaenoyl-CoA(4-) 3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E,7Z,10Z,13Z,16Z,19Z)-docosa-2,7,10,13,16,19-hexaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
SLM:000389636 slm:000389636	(2E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA
metacyc.compound:CPD-14425 metacycM:CPD-14425	(2E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA (2E,7Z,10Z,13Z,16Z,19Z)-docosa-2,7,10,13,16,19-hexaenoyl-CoA docosapentaenoyl-2-enoyl-CoA
CHEBI:76643 chebi:76643	(2E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA (2E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E,7Z,10Z,13Z,16Z,19Z)-docosa-2,7,10,13,16,19-hexaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
seed.compound:cpd28755 seedM:cpd28755	docosapentaenoyl-2-enoyl-CoA (2E,7Z,10Z,13Z,16Z,19Z)-docosa-2,7,10,13,16,19-hexaenoyl-CoA (2E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA
seedM:M_cpd28755	secondary/obsolete/fantasy identifier