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(3R)-3-Hydroxyacyl-[acyl-carrier protein]
MNXM5861 is deprecated and here replaced by MNXM738485
!!! Alternative mappings exist !!!
| Properties | Image |
MNX_ID | MNXM738485 |
 |
reference | biggM:3haACP |
formula | C15H27N2O9PS* |
global charge | -1 |
mol weight | |
InChIKey | |
InChI | |
SMILES | [*]OP(=O)([O-])OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(C)O |
MNX internals
InChI (mnx) | InChI=1/C16H31N2O9PS/c1-11(19)9-13(21)29-8-7-17-12(20)5-6-18-15(23)14(22)16(2,3)10-27-28(24,25)26-4/h11,14,19,22H,5-10H2,1-4H3,(H,17,20)(H,18,23)(H,24,25)/t11?,14?/i4+1 |
 |
SMILES (mnx) | [CH3:1][CH:11]([CH2:9][C:13](=[O:21])[S:29][CH2:8][CH2:7][N:17]=[C:12]([CH2:5][CH2:6][N:18]=[C:15]([CH:14]([C:16]([CH3:2])([CH3:3])[CH2:10][O:27][P:28]([OH:24])(=[O:25])[O:26][13CH3:4])[OH:22])[OH:23])[OH:20])[OH:19] |
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Parent-child relations graph |
Occurences in reactions | #reac |
in my sandbox |
0 |
in MNXref (generic) | 2 |
in models (compartimentalized) |
4 |
|
Similar chemical compounds in external resources
Identifier | Description |
bigg.metabolite:3haACP biggM:3haACP
| (3R)-3-Hydroxyacyl-[acyl-carrier protein]
|
biggM:M_3haACP
| secondary/obsolete/fantasy identifier
|