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(3R)-hydroxy-(11Z)-eicosenoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM145825

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₄₁H₆₈N₇O₁₈P₃S

charge

-4

mass

1071.35763

reference

chebi:76387

InChIKey

PREOMQKNJXWCLZ-ZHLMIUQRSA-J

InChI

InChI=1S/C41H72N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h11-12,27-30,34-36,40,49,52-53H,4-10,13-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/p-4/b12-11-/t29-,30-,34-,35-,36+,40-/m1/s1

SMILES

CCCCCCCC/C=C\CCCCCCC[C@@H](O)CC(=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:76387 chebi:76387	(3R)-hydroxy-(11Z)-eicosenoyl-CoA (3R,11Z)-3-hydroxyeicosenoyl-CoA(4-) (3R,11Z)-3-hydroxyeicosenoyl-coenzyme A(4-) (3R,11Z)-3-hydroxyicosenoyl-CoA(4-) (3R,11Z)-3-hydroxyicosenoyl-coenzyme A(4-) (R)-3-OH-C20:1(n-9)-CoA(4-) (R)-3-hydroxy-(11Z)-eicosenoyl-CoA(4-) 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R,11Z)-3-hydroxyicos-11-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
SLM:000389426 slm:000389426	(3R)-hydroxy-(11Z)-eicosenoyl-CoA
CHEBI:76508 chebi:76508	(3R,11Z)-3-hydroxyicosenoyl-CoA (3R,11Z)-3-hydroxyeicosenoyl-CoA (3R,11Z)-3-hydroxyeicosenoyl-coenzyme A (3R,11Z)-3-hydroxyicosenoyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R,11Z)-3-hydroxyicos-11-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
metacyc.compound:CPD-15361 metacycM:CPD-15361 seed.compound:cpd34079 seedM:cpd34079	3R-hydroxy-(11Z)-eicos-11-enoyl-CoA
seedM:M_cpd34079	secondary/obsolete/fantasy identifier