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35-aminobacteriohopane-32,33,34-triol

MNXM36845 is deprecated and here replaced by MNXM734954
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM734954 Image of MNXM734954
referencechebi:143710
formulaC35H63NO3
global charge0
mol weight545.893
InChIKeyDYJIJIUSBPCLMI-CFWIQLKESA-N
InChIInChI=1S/C35H63NO3/c1-22(9-10-25(37)30(39)26(38)21-36)23-13-18-32(4)24(23)14-19-34(6)28(32)11-12-29-33(5)17-8-16-31(2,3)27(33)15-20-35(29,34)7/h22-30,37-39H,8-21,36H2,1-7H3/t22?,23?,24?,25-,26+,27?,28?,29?,30-,32+,33+,34-,35-/m1/s1
SMILESCC(CC[C@@H](O)[C@@H](O)[C@@H](O)CN)C1CC[C@@]2(C)C1CC[C@]1(C)C2CCC2[C@@]3(C)CCCC(C)(C)C3CC[C@]21C
MNX internals
InChI (mnx)InChI=1/C35H63NO3/c1-22(9-10-25(37)30(39)26(38)21-36)23-13-18-32(4)24(23)14-19-34(6)28(32)11-12-29-33(5)17-8-16-31(2,3)27(33)15-20-35(29,34)7/h22-30,37-39H,8-21,36H2,1-7H3/t22?,23?,24?,25-,26+,27?,28?,29?,30-,32+,33+,34-,35-/m1/s1 Image of MNXM734954
SMILES (mnx)[CH3:1][CH:22]([CH2:9][CH2:10][C@H:25]([C@H:30]([C@H:26]([CH2:21][NH2:36])[OH:38])[OH:39])[OH:37])[CH:23]1[CH2:13][CH2:18][C@@:32]2([CH3:4])[CH:24]1[CH2:14][CH2:19][C@:34]1([CH3:6])[CH:28]2[CH2:11][CH2:12][CH:29]2[C@@:33]3([CH3:5])[CH2:17][CH2:8][CH2:16][C:31]([CH3:2])([CH3:3])[CH:27]3[CH2:15][CH2:20][C@:35]21[CH3:7]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:143710
chebi:143710
lipidmaps:LMPR04000005
lipidmapsM:LMPR04000005
DYJIJIUSBPCLMI-CFWIQLKESA-N 		35-aminobacteriohopane-32,33,34-triol

seed.compound:cpd33767
seedM:cpd33767
DYJIJIUSBPCLMI-CFWIQLKESA-O 		35-aminobacteriohopane-32,33,34-triol
LMPR04000005
aminobacteriohopanetriol

metacyc.compound:CPD-14521
metacycM:CPD-14521
DYJIJIUSBPCLMI-CFWIQLKESA-O 		aminobacteriohopanetriol
35-aminobacteriohopane-32,33,34-triol
LMPR04000005

seedM:M_cpd33767 		secondary/obsolete/fantasy identifier