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Acetyllycopsamine

PropertiesImage
MNX_IDMNXM40104 Image of MNXM40104
referencechebi:80703
formulaC17H27NO6
global charge0
mol weight341.404
InChIKeyRKDOFSJTBIDAHX-OFSOMGBPSA-N
InChIInChI=1S/C17H27NO6/c1-10(2)17(22,11(3)19)16(21)23-9-13-5-7-18-8-6-14(15(13)18)24-12(4)20/h5,10-11,14-15,19,22H,6-9H2,1-4H3/t11-,14+,15+,17-/m0/s1
SMILESCC(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)[C@H]12
MNX internals
InChI (mnx)InChI=1/C17H27NO6/c1-10(2)17(22,11(3)19)16(21)23-9-13-5-7-18-8-6-14(15(13)18)24-12(4)20/h5,10-11,14-15,19,22H,6-9H2,1-4H3/t11-,14+,15+,17-/m0/s1 Image of MNXM40104
SMILES (mnx)[CH3:1][CH:10]([CH3:2])[C@:17]([C@H:11]([CH3:3])[OH:19])([C:16](=[O:21])[O:23][CH2:9][C:13]1=[CH:5][CH2:7][N:18]2[CH2:8][CH2:6][C@@H:14]([O:24][C:12]([CH3:4])=[O:20])[C@@H:15]12)[OH:22]
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

seed.compound:cpd17106
seedM:cpd17106
CHEBI:80703
chebi:80703
kegg.compound:C16751
keggC:C16751
RKDOFSJTBIDAHX-OFSOMGBPSA-N 		Acetyllycopsamine
hmdb:HMDB0302356
RKDOFSJTBIDAHX-OFSOMGBPSA-N 		7-Acetyllycopsamine
[(1R,7AR)-1-(acetyloxy)-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl (2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoic acid
[(1R,7aR)-1-(acetyloxy)-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl (2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate
[(7R,7aR)-7-(acetyloxy)-5,6,7,7a-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate

keggC:M_C16751
seedM:M_cpd17106 		secondary/obsolete/fantasy identifier