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(3R)-3-hydroxypentanoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM1101910

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	1

formula

C₂₆H₄₀N₇O₁₈P₃S

charge

-4

mass

863.13853

reference

chebi:138587

InChIKey

YYGYPCRWZMLSGK-MXYRDGFCSA-J

InChI

InChI=1S/C26H44N7O18P3S/c1-4-14(34)9-17(36)55-8-7-28-16(35)5-6-29-24(39)21(38)26(2,3)11-48-54(45,46)51-53(43,44)47-10-15-20(50-52(40,41)42)19(37)25(49-15)33-13-32-18-22(27)30-12-31-23(18)33/h12-15,19-21,25,34,37-38H,4-11H2,1-3H3,(H,28,35)(H,29,39)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/p-4/t14-,15-,19-,20-,21+,25-/m1/s1

SMILES

CC[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:138587 chebi:138587	(3R)-3-hydroxypentanoyl-CoA (3R)-hydroxyvaleryl-CoA(4-) (R)-3-hydroxypentanoyl-CoA(4-) (R)-3-hydroxyvaleryl-CoA(4-)
metacyc.compound:CPD-13533 metacycM:CPD-13533	(3R)-3-hydroxypentanoyl-CoA (3R)-3-hydroxyvaleryl-CoA D-beta-hydroxyvaleryl-CoA
sabiork.compound:30127 sabiorkM:30127	(R)-3-Hydroxypentanoyl-CoA
CHEBI:139236 chebi:139236	(R)-3-hydroxypentanoyl-CoA (3R)-hydroxypentanoyl-CoA (3R)-hydroxypentanoyl-coenzyme A (3R)-hydroxyvaleryl-CoA (3R)-hydroxyvaleryl-coenzyme A (R)-3-hydroxypentanoyl-coenzyme A (R)-3-hydroxyvaleryl-CoA (R)-3-hydroxyvaleryl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R)-3-hydroxypentanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} S-[(3R)-3-hydroxypentanoyl]-coenzyme A
seed.compound:cpd23920 seedM:cpd23920	(R)-3-hydroxyvaleryl-CoA (3R)-3-hydroxypentanoyl-CoA (3R)-3-hydroxyvaleryl-CoA D-beta-hydroxyvaleryl-CoA
seedM:M_cpd23920	secondary/obsolete/fantasy identifier