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(3S)-citryl-CoA

MNXM1509 is deprecated and here replaced by MNXM1107835
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1107835

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	2

formula

C₂₇H₃₆N₇O₂₂P₃S

charge

-6

mass

935.08799

reference

chebi:57321

InChIKey

IHVFHZGGMJDGGZ-VPXVXCNZSA-H

InChI

InChI=1S/C27H42N7O22P3S/c1-26(2,20(40)23(41)30-4-3-14(35)29-5-6-60-16(38)8-27(44,25(42)43)7-15(36)37)10-53-59(50,51)56-58(48,49)52-9-13-19(55-57(45,46)47)18(39)24(54-13)34-12-33-17-21(28)31-11-32-22(17)34/h11-13,18-20,24,39-40,44H,3-10H2,1-2H3,(H,29,35)(H,30,41)(H,36,37)(H,42,43)(H,48,49)(H,50,51)(H2,28,31,32)(H2,45,46,47)/p-6/t13-,18-,19-,20+,24-,27+/m1/s1

SMILES

CC(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-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@](O)(CC(=O)[O-])C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57321 chebi:57321	(3S)-citryl-CoA (3S)-citryl-CoA(6-) 3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3S)-3,4-dicarboxylato-3-hydroxybutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
metacyc.compound:3S-CITRYL-COA metacycM:3S-CITRYL-COA	(3S)-citryl-CoA
CHEBI:15459 chebi:15459	(3S)-citryl-CoA (3S)-Citryl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3S)-3,4-dicarboxy-3-hydroxybutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
chebi:10891 chebi:18572 chebi:216	secondary/obsolete/fantasy identifier