Search MNXref
 Feedback

compound 0217090

PropertiesImage
MNX_IDMNXM1198422 Image of MNXM1198422
referenceenvipathM:...9ab9a8d05dad
formulaC26H48NO10
global charge-1
mol weight534.667
InChIKeyBMGBCYQYKUHOOU-OAHWSNACSA-M
InChIInChI=1S/C26H49NO10/c1-10-18(28)26(7,35)21(31)15(4)19(29)13(2)12-25(6,34)22(16(5)23(32)33)37-24-20(30)17(27(8)9)11-14(3)36-24/h13-18,20-22,24,28,30-31,34-35H,10-12H2,1-9H3,(H,32,33)/p-1/t13-,14-,15+,16-,17+,18-,20-,21-,22-,24+,25-,26-/m1/s1
SMILESCC[C@@H](O)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O)[C@@H](C)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C26H49NO10/c1-10-18(28)26(7,35)21(31)15(4)19(29)13(2)12-25(6,34)22(16(5)23(32)33)37-24-20(30)17(27(8)9)11-14(3)36-24/h13-18,20-22,24,28,30-31,34-35H,10-12H2,1-9H3,(H,32,33)/t13-,14-,15+,16-,17+,18-,20-,21-,22-,24+,25-,26-/m1/s1 Image of MNXM1198422
SMILES (mnx)[CH3:1][CH2:10][C@H:18]([C@:26]([CH3:7])([C@@H:21]([C@@H:15]([CH3:4])[C:19]([C@H:13]([CH3:2])[CH2:12][C@:25]([CH3:6])([C@@H:22]([C@@H:16]([CH3:5])[C:23](=[O:32])[OH:33])[O:37][C@H:24]1[C@H:20]([OH:30])[C@@H:17]([N:27]([CH3:8])[CH3:9])[CH2:11][C@@H:14]([CH3:3])[O:36]1)[OH:34])=[O:29])[OH:31])[OH:35])[OH:28]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

envipath:...9ab9a8d05dad
envipathM:...9ab9a8d05dad
BMGBCYQYKUHOOU-OAHWSNACSA-M
compound 0217090