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paspaline

MNXM146438 is deprecated and replaced by MNXM1100318
PropertiesImage
MNX_IDMNXM1100318 Image of MNXM1100318
referencechebi:181371
formulaC28H39NO2
global charge0
mol weight421.625
InChIKeyWLAIEIMDXUAGPY-HSECPPETSA-N
InChIInChI=1S/C28H39NO2/c1-25(2,30)22-12-14-26(3)21-11-10-17-16-19-18-8-6-7-9-20(18)29-24(19)28(17,5)27(21,4)15-13-23(26)31-22/h6-9,17,21-23,29-30H,10-16H2,1-5H3/t17-,21-,22-,23-,26-,27-,28+/m0/s1
SMILESCC(C)(O)[C@@H]1CC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2CC[C@H]2CC4=C(NC5=C4C=CC=C5)[C@@]23C)O1
MNX internals
InChI (mnx)InChI=1/C28H39NO2/c1-25(2,30)22-12-14-26(3)21-11-10-17-16-19-18-8-6-7-9-20(18)29-24(19)28(17,5)27(21,4)15-13-23(26)31-22/h6-9,17,21-23,29-30H,10-16H2,1-5H3/t17-,21-,22-,23-,26-,27-,28+/m0/s1 Image of MNXM1100318
SMILES (mnx)[CH3:1][C:25]([CH3:2])([C@@H:22]1[CH2:12][CH2:14][C@@:26]2([CH3:3])[C@@H:21]3[CH2:11][CH2:10][C@H:17]4[CH2:16][C:19]5=[C:24]([C@:28]4([CH3:5])[C@@:27]3([CH3:4])[CH2:15][CH2:13][C@@H:23]2[O:31]1)[NH:29][C:20]1=[CH:9][CH:7]=[CH:6][CH:8]=[C:18]51)[OH:30]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:181371
chebi:181371
WLAIEIMDXUAGPY-HSECPPETSA-N 		paspaline
2-[(1S,2S,5S,7S,10S,11R,14S)-1,2,10-trimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-16(24),17,19,21-tetraen-7-yl]propan-2-ol
Paspaline

kegg.compound:C20530
keggC:C20530
WLAIEIMDXUAGPY-HSECPPETSA-N 		Paspaline

seed.compound:cpd31171
seedM:cpd31171
WLAIEIMDXUAGPY-HSECPPETSA-N 		Paspaline
paspaline

metacyc.compound:CPD-16741
metacycM:CPD-16741
WLAIEIMDXUAGPY-HSECPPETSA-N 		paspaline

keggC:M_C20530
seedM:M_cpd31171 		secondary/obsolete/fantasy identifier