Search MNXref
 Feedback

S-choloyl-4'-phosphopantetheine

PropertiesImage
MNX_IDMNXM163338 Image of MNXM163338
referencechebi:132020
formulaC35H59N2O11PS
global charge-2
mol weight746.901
InChIKeyUPYNKWYJRGJDLW-PVNVRVFMSA-L
InChIInChI=1S/C35H61N2O11PS/c1-20(6-9-29(42)50-15-14-36-28(41)11-13-37-32(44)31(43)33(2,3)19-48-49(45,46)47)23-7-8-24-30-25(18-27(40)35(23,24)5)34(4)12-10-22(38)16-21(34)17-26(30)39/h20-27,30-31,38-40,43H,6-19H2,1-5H3,(H,36,41)(H,37,44)(H2,45,46,47)/p-2/t20-,21+,22-,23-,24+,25+,26-,27+,30+,31+,34+,35-/m1/s1
SMILESC[C@H](CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
MNX internals
InChI (mnx)InChI=1/C35H61N2O11PS/c1-20(6-9-29(42)50-15-14-36-28(41)11-13-37-32(44)31(43)33(2,3)19-48-49(45,46)47)23-7-8-24-30-25(18-27(40)35(23,24)5)34(4)12-10-22(38)16-21(34)17-26(30)39/h20-27,30-31,38-40,43H,6-19H2,1-5H3,(H,36,41)(H,37,44)(H2,45,46,47)/t20-,21+,22-,23-,24+,25+,26-,27+,30+,31+,34+,35-/m1/s1 Image of MNXM163338
SMILES (mnx)[CH3:1][C@H:20]([CH2:6][CH2:9][C:29](=[O:42])[S:50][CH2:15][CH2:14][N:36]=[C:28]([CH2:11][CH2:13][N:37]=[C:32]([C@@H:31]([C:33]([CH3:2])([CH3:3])[CH2:19][O:48][P:49]([OH:45])([OH:46])=[O:47])[OH:43])[OH:44])[OH:41])[C@H:23]1[CH2:7][CH2:8][C@H:24]2[C@H:30]3[C@H:25]([CH2:18][C@H:27]([OH:40])[C@:35]12[CH3:5])[C@@:34]1([CH3:4])[CH2:12][CH2:10][C@@H:22]([OH:38])[CH2:16][C@H:21]1[CH2:17][C@H:26]3[OH:39]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:132020
chebi:132020
UPYNKWYJRGJDLW-PVNVRVFMSA-L 		S-choloyl-4'-phosphopantetheine
(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]sulfanyl}ethyl)amino]propyl}amino)butyl phosphate
S-choloyl-4'-phosphopantetheine(2-)

CHEBI:132321
chebi:132321
UPYNKWYJRGJDLW-PVNVRVFMSA-N 		S-choloyl-4'-phosphopantetheine
S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxycholane-24-thioate
choloyl-4'-phosphopantetheine

SLM:000501447
slm:000501447
UPYNKWYJRGJDLW-PVNVRVFMSA-L 		choloyl-4'-phosphopantetheine