Search MNXref
 Feedback

(2R,3S)-beta-methylmalyl-CoA

MNXM5993 is deprecated and here replaced by MNXM738688
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM738688 Image of MNXM738688
referencechebi:75634
formulaC26H37N7O20P3S
global charge-5
mol weight892.6
InChIKeyOTENCPQKSBPYCM-IGVLTWCCSA-I
InChIInChI=1S/C26H42N7O20P3S/c1-12(16(35)24(39)40)25(41)57-7-6-28-14(34)4-5-29-22(38)19(37)26(2,3)9-50-56(47,48)53-55(45,46)49-8-13-18(52-54(42,43)44)17(36)23(51-13)33-11-32-15-20(27)30-10-31-21(15)33/h10-13,16-19,23,35-37H,4-9H2,1-3H3,(H,28,34)(H,29,38)(H,39,40)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/p-5/t12-,13+,16+,17+,18+,19-,23+/m0/s1
SMILESC[C@H](C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C26H42N7O20P3S/c1-12(16(35)24(39)40)25(41)57-7-6-28-14(34)4-5-29-22(38)19(37)26(2,3)9-50-56(47,48)53-55(45,46)49-8-13-18(52-54(42,43)44)17(36)23(51-13)33-11-32-15-20(27)30-10-31-21(15)33/h10-13,16-19,23,35-37H,4-9H2,1-3H3,(H,28,34)(H,29,38)(H,39,40)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/t12-,13+,16+,17+,18+,19-,23+/m0/s1 Image of MNXM738688
SMILES (mnx)[CH3:1][C@@H:12]([C@H:16]([C:24](=[O:39])[OH:40])[OH:35])[C:25](=[O:41])[S:57][CH2:7][CH2:6][N:28]=[C:14]([CH2:4][CH2:5][N:29]=[C:22]([C@@H:19]([C:26]([CH3:2])([CH3:3])[CH2:9][O:50][P:56]([OH:47])(=[O:48])[O:53][P:55]([OH:45])(=[O:46])[O:49][CH2:8][C@@H:13]1[C@@H:18]([O:52][P:54]([OH:42])([OH:43])=[O:44])[C@@H:17]([OH:36])[C@H:23]([N:33]2[CH:11]=[N:32][C:15]3=[C:20]([NH2:27])[N:30]=[CH:10][N:31]=[C:21]32)[O:51]1)[OH:37])[OH:38])[OH:34]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:75634
chebi:75634
OTENCPQKSBPYCM-IGVLTWCCSA-I 		(2R,3S)-beta-methylmalyl-CoA
L-erythro-3-methylmalyl-CoA(5-)
L-erythro-3-methylmalyl-coenzyme A

sabiork.compound:8330
sabiorkM:8330
OTENCPQKSBPYCM-IGVLTWCCSA-N 		L-erythro-3-Methylmalyl-CoA
beta-Methylmalyl-CoA

lipidmaps:LMFA07050342
lipidmapsM:LMFA07050342
OTENCPQKSBPYCM-IGVLTWCCSA-N 		L-erythro-3-methylmalyl-CoA
2S-methyl-3R-hydroxy-4-carboxybutanoyl-CoA
CoA 5:1
L-erythro-3-methylmalyl-coenzyme A
O3

CHEBI:27855
chebi:27855
OTENCPQKSBPYCM-IGVLTWCCSA-N 		L-erythro-3-methylmalyl-CoA
L-erythro-3-methylmalyl-coenzyme A
beta-Methylmalyl-CoA

chebi:21284
chebi:6330 		secondary/obsolete/fantasy identifier