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(3R)-hydroxyhexanoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM146686

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

formula

C₂₇H₄₂N₇O₁₈P₃S

charge

-4

mass

877.15418

reference

chebi:74280

InChIKey

VAAHKRMGOFIORX-RLVCGTLZSA-J

InChI

InChI=1S/C27H46N7O18P3S/c1-4-5-15(35)10-18(37)56-9-8-29-17(36)6-7-30-25(40)22(39)27(2,3)12-49-55(46,47)52-54(44,45)48-11-16-21(51-53(41,42)43)20(38)26(50-16)34-14-33-19-23(28)31-13-32-24(19)34/h13-16,20-22,26,35,38-39H,4-12H2,1-3H3,(H,29,36)(H,30,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/p-4/t15-,16-,20-,21-,22+,26-/m1/s1

SMILES

CCC[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:74280 chebi:74280	(3R)-hydroxyhexanoyl-CoA (R)-3-hydroxyhexanoyl-CoA (R)-3-hydroxyhexanoyl-CoA(4-) (R)-3-hydroxyhexanoyl-coenzyme A(4-) 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R)-3-hydroxyhexanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
seed.compound:cpd34549 seedM:cpd34549	(3R)-3-hydroxyhexanoyl-CoA (R)-3-hydroxyhexanoyl-CoA
SLM:000485318 slm:000485318	(3R)-hydroxyhexanoyl-CoA
sabiork.compound:28586 sabiorkM:28586	(R)-3-Hydroxyhexanoyl-CoA
metacyc.compound:CPD-14915 metacycM:CPD-14915	(R)-3-hydroxyhexanoyl-CoA (3R)-3-hydroxyhexanoyl-CoA
CHEBI:74474 chebi:74474	(R)-3-hydroxyhexanoyl-CoA (R)-3-hydroxyhexanoyl-coenzyme A
seedM:M_cpd34549	secondary/obsolete/fantasy identifier