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2,2-dimethylpropanoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM745042

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₂₆H₄₀N₇O₁₇P₃S

charge

-4

mass

847.14362

reference

chebi:136712

InChIKey

FCMKBHDFOPWWQK-NDZSKPAWSA-J

InChI

InChI=1S/C26H44N7O17P3S/c1-25(2,3)24(38)54-9-8-28-15(34)6-7-29-22(37)19(36)26(4,5)11-47-53(44,45)50-52(42,43)46-10-14-18(49-51(39,40)41)17(35)23(48-14)33-13-32-16-20(27)30-12-31-21(16)33/h12-14,17-19,23,35-36H,6-11H2,1-5H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/p-4/t14-,17-,18-,19+,23-/m1/s1

SMILES

CC(C)(C)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:136712 chebi:136712	2,2-dimethylpropanoyl-CoA 2,2-dimethylpropanoyl-CoA(4-) pivaloyl-CoA(4-) pivalyl-CoA(4-)
sabiork.compound:30605 sabiorkM:30605	Pivalyl-CoA 2,2-Dimethylpropanoyl-CoA
CHEBI:137545 chebi:137545	pivaloyl-CoA 2,2-dimethylpropanoyl-CoA 2,2-dimethylpropionyl-CoA 3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(2,2-dimethylpropanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate) pivalyl-CoA pivalyl-coenzyme A
metacyc.compound:CPD-19874 metacycM:CPD-19874 seed.compound:cpd35700 seedM:cpd35700	pivalyl-CoA
seedM:M_cpd35700	secondary/obsolete/fantasy identifier