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(3R)-hydroxyoctacosanoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM146012

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

formula

C₄₉H₈₆N₇O₁₈P₃S

charge

-4

mass

1185.49848

reference

chebi:76382

InChIKey

NTFBHMWCTYUQPR-LAOISBJJSA-J

InChI

InChI=1S/C49H90N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-37(57)32-40(59)78-31-30-51-39(58)28-29-52-47(62)44(61)49(2,3)34-71-77(68,69)74-76(66,67)70-33-38-43(73-75(63,64)65)42(60)48(72-38)56-36-55-41-45(50)53-35-54-46(41)56/h35-38,42-44,48,57,60-61H,4-34H2,1-3H3,(H,51,58)(H,52,62)(H,66,67)(H,68,69)(H2,50,53,54)(H2,63,64,65)/p-4/t37-,38-,42-,43-,44+,48-/m1/s1

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCC[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:76382 chebi:76382	(3R)-hydroxyoctacosanoyl-CoA (3R)-3-hydroxyoctacosanoyl-CoA(4-) (R)-3-OH-C28:0-CoA(4-) (R)-3-hydroxymontanoyl-CoA(4-) (R)-3-hydroxymontanoyl-coenzyme A(4-) (R)-3-hydroxyoctacosanoyl-CoA(4-) (R)-3-hydroxyoctacosanoyl-coenzyme A(4-) 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R)-3-hydroxyoctacosanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
metacyc.compound:CPD-22004 metacycM:CPD-22004	(3R)-3-hydroxyoctacosanoyl-CoA
SLM:000389408 slm:000389408	(3R)-hydroxyoctacosanoyl-CoA
CHEBI:76472 chebi:76472	(R)-3-hydroxyoctacosanoyl-CoA (3R)-3-hydroxymontanoyl-CoA (3R)-3-hydroxyoctacosanoyl-CoA (R)-3-hydroxymontanoyl-CoA (R)-3-hydroxymontanoyl-coenzyme A (R)-3-hydroxyoctacosanoyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R)-3-hydroxyoctacosanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}