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(3R)-hydroxyhexacosanoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM1105926

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	6

formula

C₄₇H₈₂N₇O₁₈P₃S

charge

-4

mass

1157.46718

reference

chebi:76378

InChIKey

GBMJOTOUUWGTIA-CSLACTSSSA-J

InChI

InChI=1S/C47H86N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-35(55)30-38(57)76-29-28-49-37(56)26-27-50-45(60)42(59)47(2,3)32-69-75(66,67)72-74(64,65)68-31-36-41(71-73(61,62)63)40(58)46(70-36)54-34-53-39-43(48)51-33-52-44(39)54/h33-36,40-42,46,55,58-59H,4-32H2,1-3H3,(H,49,56)(H,50,60)(H,64,65)(H,66,67)(H2,48,51,52)(H2,61,62,63)/p-4/t35-,36-,40-,41-,42+,46-/m1/s1

SMILES

CCCCCCCCCCCCCCCCCCCCCCC[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:76378 chebi:76378	(3R)-hydroxyhexacosanoyl-CoA (R)-3-OH-C26:0-CoA(4-) (R)-3-hydroxycerotoyl-CoA(4-) (R)-3-hydroxycerotoyl-coenzyme A(4-) (R)-3-hydroxyhexacosanoyl-CoA(4-) (R)-3-hydroxyhexacosanoyl-coenzyme A(4-) 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R)-3-hydroxyhexacosanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
seed.compound:cpd24269 seedM:cpd24269	(3R)-3-hydroxy-cerotoyl-CoA
metacyc.compound:CPD-14278 metacycM:CPD-14278	(3R)-3-hydroxycerotoyl-CoA
SLM:000389406 slm:000389406	(3R)-hydroxyhexacosanoyl-CoA
CHEBI:76465 chebi:76465	(R)-3-hydroxyhexacosanoyl-CoA (R)-3-hydroxycerotoyl-CoA (R)-3-hydroxycerotoyl-coenzyme A (R)-3-hydroxyhexacosanoyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R)-3-hydroxyhexacosanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
bigg.metabolite:M00783 biggM:M00783	3-Hydroxyhexacosanoyl Coenzyme A
reactome:R-ALL-390248 reactomeM:R-ALL-390248 CHEBI:64972 chebi:64972	3-hydroxyhexacosanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxyhexacosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} 3-hydroxyhexacosanoyl-coenzyme A
CHEBI:64959 chebi:64959	3-hydroxyhexacosanoyl-CoA 3-hydroxyhexacosanoyl-CoA(4-) 3-hydroxyhexacosanoyl-coenzyme A(4-)
lipidmaps:LMFA07050216 lipidmapsM:LMFA07050216	3-hydroxyhexacosanoyl-CoA 3-hydroxyhexacosanoyl-coenzyme A 3S-hydroxyhexacosanoyl-Co CoA 26:0 O
biggM:M_M00783 seedM:M_cpd24269	secondary/obsolete/fantasy identifier