Search MNXref
 Feedback

dTDP-4-acetyl-alpha-D-ravidosamine

MNXM167667 is deprecated and replaced by MNXM1100627
PropertiesImage
MNX_IDMNXM1100627 Image of MNXM1100627
referencemetacycM:CPD-18164
formulaC20H32N3O15P2
global charge-1
mol weight616.43
InChIKeyADNGTFRCJRMOCO-MDZHJPSKSA-M
InChIInChI=1S/C20H33N3O15P2/c1-9-7-23(20(28)21-18(9)27)14-6-12(25)13(36-14)8-33-39(29,30)38-40(31,32)37-19-16(26)15(22(4)5)17(10(2)34-19)35-11(3)24/h7,10,12-17,19,25-26H,6,8H2,1-5H3,(H,29,30)(H,31,32)(H,21,27,28)/p-1/t10-,12+,13-,14-,15-,16-,17+,19-/m1/s1
SMILESCC(=O)O[C@@H]1[C@H]([NH+](C)C)[C@@H](O)[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=C(C)C(=O)NC3=O)C[C@@H]2O)O[C@@H]1C
MNX internals
InChI (mnx)InChI=1/C20H33N3O15P2/c1-9-7-23(20(28)21-18(9)27)14-6-12(25)13(36-14)8-33-39(29,30)38-40(31,32)37-19-16(26)15(22(4)5)17(10(2)34-19)35-11(3)24/h7,10,12-17,19,25-26H,6,8H2,1-5H3,(H,29,30)(H,31,32)(H,21,27,28)/t10-,12+,13-,14-,15-,16-,17+,19-/m1/s1 Image of MNXM1100627
SMILES (mnx)[CH3:1][C:9]1=[CH:7][N:23]([C@H:14]2[CH2:6][C@H:12]([OH:25])[C@@H:13]([CH2:8][O:33][P:39]([OH:29])(=[O:30])[O:38][P:40]([OH:31])(=[O:32])[O:37][C@@H:19]3[C@H:16]([OH:26])[C@@H:15]([N:22]([CH3:4])[CH3:5])[C@@H:17]([O:35][C:11]([CH3:3])=[O:24])[C@@H:10]([CH3:2])[O:34]3)[O:36]2)[C:20](=[O:28])[N:21]=[C:18]1[OH:27]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-18164
metacycM:CPD-18164
ADNGTFRCJRMOCO-MDZHJPSKSA-M 		dTDP-4-acetyl-alpha-D-ravidosamine
dTDP-4-acetyl-3-dimethylamino-3,6-dideoxy-alpha-D-galactopyranose

seed.compound:cpd33356
seedM:cpd33356
ADNGTFRCJRMOCO-MDZHJPSKSA-M 		dTDP-4-acetyl-3-dimethylamino-3,6-dideoxy-alpha-D-galactopyranose
dTDP-4-acetyl-D-ravidosamine

seedM:M_cpd33356 		secondary/obsolete/fantasy identifier