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3-hydroxybutanoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM1105913

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	4

formula

C₂₅H₃₈N₇O₁₈P₃S

charge

-4

mass

849.12288

reference

chebi:78611

InChIKey

QHHKKMYHDBRONY-RMNRSTNRSA-J

InChI

InChI=1S/C25H42N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-14,18-20,24,33,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/p-4/t13?,14-,18-,19-,20+,24-/m1/s1

SMILES

CC(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:78611 chebi:78611	3-hydroxybutanoyl-CoA 3-hydroxybutanoyl-CoA(4-) 3-hydroxybutyryl-CoA(4-) beta-hydroxybutanoyl-CoA(4-) beta-hydroxybutyryl-CoA(4-)
sabiork.compound:7745 sabiorkM:7745 kegg.compound:C05116 keggC:C05116	3-Hydroxybutanoyl-CoA 3-Hydroxybutyryl-CoA
SLM:000390090 slm:000390090	3-hydroxybutanoyl-CoA
CHEBI:37050 chebi:37050	3-hydroxybutanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxybutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} 3-Hydroxybutanoyl-CoA 3-Hydroxybutyryl-coa 3-Hydroxybutyryl-coenzyme A Coenzyme A, S-(3-hydroxybutanoate) S-(3-hydroxybutanoyl)-CoA S-(3-hydroxybutanoyl)-coenzyme A S-(3-hydroxybutyryl)-CoA S-(3-hydroxybutyryl)-coenzyme A beta-Hydroxybutyryl-coa beta-Hydroxybutyryl-coenzyme A
lipidmaps:LMFA07050212 lipidmapsM:LMFA07050212	3-hydroxybutyryl-CoA 3-hydroxybutanoyl-CoA CoA 4:0 O S-(3-hydroxybutanoyl)-CoA S-(3-hydroxybutanoyl)-coenzyme A S-(3-hydroxybutyryl)-CoA S-(3-hydroxybutyryl)-coenzyme A
envipath:...c244c9e50982 envipathM:...c244c9e50982	compound 0056166
chebi:1541 chebi:20068 keggC:M_C05116	secondary/obsolete/fantasy identifier