Feedback
pimeloyl-pantetheine-4-phosphorylserine methyl ester residue
MNXM12694 is deprecated and here replaced by MNXM727681
!!! Alternative mappings exist !!!
| Properties | Image |
MNX_ID | MNXM727681 |
 |
reference | chebi:82735 |
formula | C22H37N3O11PS*2 |
global charge | -1 |
mol weight | |
InChIKey | |
InChI | |
SMILES | [*]N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCC(=O)OC)C([*])=O |
MNX internals
InChI (mnx) | InChI=1/C24H44N3O11PS/c1-17(28)18(25-4)15-37-39(34,35)38-16-24(2,3)22(32)23(33)27-12-11-19(29)26-13-14-40-21(31)10-8-6-7-9-20(30)36-5/h18,22,25,32H,6-16H2,1-5H3,(H,26,29)(H,27,33)(H,34,35)/t18-,22-/m0/s1/i1+1,4+1 |
 |
SMILES (mnx) | [13CH3:1][C:17]([C@H:18]([CH2:15][O:37][P:39]([OH:34])(=[O:35])[O:38][CH2:16][C:24]([CH3:2])([CH3:3])[C@H:22]([C:23](=[N:27][CH2:12][CH2:11][C:19](=[N:26][CH2:13][CH2:14][S:40][C:21]([CH2:10][CH2:8][CH2:6][CH2:7][CH2:9][C:20](=[O:30])[O:36][CH3:5])=[O:31])[OH:29])[OH:33])[OH:32])[NH:25][13CH3:4])=[O:28] |
|
Parent-child relations graph |
Occurences in reactions | #reac |
in my sandbox |
0 |
in MNXref (generic) | 2 |
in models (compartimentalized) |
0 |
|