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(2E)-docosenoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM741761

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	10

formula

C₄₃H₇₂N₇O₁₇P₃S

charge

-4

mass

1083.39402

reference

chebi:74692

InChIKey

KRTIFNFQCJTGMV-DYAVHEMFSA-J

InChI

InChI=1S/C43H76N7O17P3S/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/h22-23,30-32,36-38,42,53-54H,4-21,24-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/b23-22+/t32-,36-,37-,38+,42-/m1/s1

SMILES

CCCCCCCCCCCCCCCCCCC/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:74692 chebi:74692	(2E)-docosenoyl-CoA (E)-2-docosenoyl-CoA(4-) (E)-2-docosenoyl-coenzyme A(4-) 3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-docos-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate} trans-2-docosenoyl-CoA(4-) trans-2-docosenoyl-coenzyme A(4-)
SLM:000389403 slm:000389403	(2E)-docosenoyl-CoA
seed.compound:cpd24271 seedM:cpd24271	(2E)-docosenoyl-CoA trans-2,3-dihydro-docosenoyl-CoA trans-docos-2-enoyl-CoA
CHEBI:75064 chebi:75064	trans-2-docosenoyl-CoA (E)-2-docosenoyl-CoA (E)-2-docosenoyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-docos-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} trans-2-docosenoyl-coenzyme A
metacyc.compound:CPD-14281 metacycM:CPD-14281	trans-docos-2-enoyl-CoA (2E)-docosenoyl-CoA trans-2,3-dihydro-docosenoyl-CoA
seedM:M_cpd24271	secondary/obsolete/fantasy identifier