Search MNXref
 Feedback

(2S,3S,5R,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,5,10,14,15-pentol

PropertiesImage
MNX_IDMNXM4173 Image of MNXM4173
referencechebi:62526
formulaC22H48NO5
global charge1
mol weight406.628
InChIKeyUWWVLQOLROBFTD-GADKELDLSA-O
InChIInChI=1S/C22H47NO5/c1-5-6-9-16(3)22(28)21(27)13-15(2)12-18(24)10-7-8-11-19(25)14-20(26)17(4)23/h15-22,24-28H,5-14,23H2,1-4H3/p+1/t15-,16+,17-,18+,19+,20-,21-,22+/m0/s1
SMILESCCCC[C@@H](C)[C@@H](O)[C@@H](O)C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)[NH3+]
MNX internals
InChI (mnx)InChI=1/C22H47NO5/c1-5-6-9-16(3)22(28)21(27)13-15(2)12-18(24)10-7-8-11-19(25)14-20(26)17(4)23/h15-22,24-28H,5-14,23H2,1-4H3/t15-,16+,17-,18+,19+,20-,21-,22+/m0/s1 Image of MNXM4173
SMILES (mnx)[CH3:1][CH2:5][CH2:6][CH2:9][C@@H:16]([CH3:3])[C@H:22]([C@H:21]([CH2:13][C@@H:15]([CH3:2])[CH2:12][C@@H:18]([CH2:10][CH2:7][CH2:8][CH2:11][C@H:19]([CH2:14][C@@H:20]([C@H:17]([CH3:4])[NH2:23])[OH:26])[OH:25])[OH:24])[OH:27])[OH:28]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:62526
chebi:62526
UWWVLQOLROBFTD-GADKELDLSA-O 		(2S,3S,5R,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,5,10,14,15-pentol
(2S,3S,5R,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,5,10,14,15-pentol(1+)
(2S,3S,5R,10R,12S,14S,15R,16R)-3,5,10,14,15-pentahydroxy-12,16-dimethylicosan-2-aminium
HFB1(1+)
aminopentol(1+)

CHEBI:62519
chebi:62519
UWWVLQOLROBFTD-GADKELDLSA-N 		(2S,3S,5R,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,5,10,14,15-pentol
AP1
HFB1
aminopentol

seed.compound:cpd21049
seedM:cpd21049
UWWVLQOLROBFTD-GADKELDLSA-O 		Aminopentol
(2S,3S,5R,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,5,10,14,15-pentol
AP1
AP1 metabolite
aminopentol

kegg.compound:C19805
keggC:C19805
UWWVLQOLROBFTD-GADKELDLSA-N 		Aminopentol
AP1

metacyc.compound:CPD-13182
metacycM:CPD-13182
UWWVLQOLROBFTD-GADKELDLSA-O 		aminopentol
(2S,3S,5R,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,5,10,14,15-pentol
AP1 metabolite

keggC:M_C19805
seedM:M_cpd21049 		secondary/obsolete/fantasy identifier