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Oceanin

PropertiesImage
MNX_IDMNXM65249 Image of MNXM65249
referencelipidmapsM:LMSP01080038
formulaC28H58N2O4
global charge0
mol weight486.782
InChIKeyUPVBMGUHAOGASW-KCPYNUOSSA-N
InChIInChI=1S/C28H58N2O4/c1-24(29)27(33)21-17-14-10-12-16-20-25(32)19-15-11-8-6-4-2-3-5-7-9-13-18-22-28(34)26(30)23-31/h24,26-28,31,33-34H,2-23,29-30H2,1H3/t24-,26+,27-,28-/m1/s1
SMILESC[C@@H](N)[C@H](O)CCCCCCCC(=O)CCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO
MNX internals
InChI (mnx)InChI=1/C28H58N2O4/c1-24(29)27(33)21-17-14-10-12-16-20-25(32)19-15-11-8-6-4-2-3-5-7-9-13-18-22-28(34)26(30)23-31/h24,26-28,31,33-34H,2-23,29-30H2,1H3/t24-,26+,27-,28-/m1/s1 Image of MNXM65249
SMILES (mnx)[CH3:1][C@H:24]([C@@H:27]([CH2:21][CH2:17][CH2:14][CH2:10][CH2:12][CH2:16][CH2:20][C:25]([CH2:19][CH2:15][CH2:11][CH2:8][CH2:6][CH2:4][CH2:2][CH2:3][CH2:5][CH2:7][CH2:9][CH2:13][CH2:18][CH2:22][C@H:28]([C@H:26]([CH2:23][OH:31])[NH2:30])[OH:34])=[O:32])[OH:33])[NH2:29]
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

lipidmaps:LMSP01080038
lipidmapsM:LMSP01080038
UPVBMGUHAOGASW-KCPYNUOSSA-N 		Oceanin
(2R,3R,26R,27S)-2,27-diamino-3,26,28-trihydroxyoctacosan-11-one