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2-hydroxy-3-methylhexadecanoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM6714

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

formula

C₃₈H₆₄N₇O₁₈P₃S

charge

-4

mass

1031.32633

reference

chebi:58784

InChIKey

NOYKDOHWNYIPQD-MYAUCQMWSA-J

InChI

InChI=1S/C38H68N7O18P3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-25(2)29(47)37(51)67-20-19-40-27(46)17-18-41-35(50)32(49)38(3,4)22-60-66(57,58)63-65(55,56)59-21-26-31(62-64(52,53)54)30(48)36(61-26)45-24-44-28-33(39)42-23-43-34(28)45/h23-26,29-32,36,47-49H,5-22H2,1-4H3,(H,40,46)(H,41,50)(H,55,56)(H,57,58)(H2,39,42,43)(H2,52,53,54)/p-4/t25?,26-,29?,30-,31-,32+,36-/m1/s1

SMILES

CCCCCCCCCCCCCC(C)C(O)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:58784 chebi:58784	2-hydroxy-3-methylhexadecanoyl-CoA 2-hydroxy-3-methylhexadecanoyl-CoA(4-) 3'-phosphonatoadenosine 5'-(3-{(3R)-3-hydroxy-4-[(3-{[2-(2-hydroxy-3-methylhexadecanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-2,2-dimethyl-4-oxobutyl} diphosphate)
sabiork.compound:30104 sabiorkM:30104	2-Hydroxy-3-methylhexadecanoyl-CoA
metacyc.compound:CPD-15101 metacycM:CPD-15101 seed.compound:cpd33197 seedM:cpd33197	2-hydroxy-3-methylhexadecanoyl-CoA
lipidmaps:LMFA07050177 lipidmapsM:LMFA07050177	2-hydroxy-3-methylhexadecanoyl-CoA 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-4-[(3-{[2-(2-hydroxy-3-methylhexadecanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate) CoA 17:0 O S-(2-hydroxy-3-methylhexadecanoyl)-coenzyme A
CHEBI:49174 chebi:49174	2-hydroxy-3-methylhexadecanoyl-CoA 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-4-[(3-{[2-(2-hydroxy-3-methylhexadecanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate) S-(2-hydroxy-3-methylhexadecanoyl)-coenzyme A
seedM:M_cpd33197	secondary/obsolete/fantasy identifier