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CHEBI:212430 - (3beta,22S,30R,31R,32R,33S,34S)-35-Amino-3-methyl-30,31,32,33,34-bacteriohopanepentol

ChEBI IDCHEBI:212430
ChEBI Name(3beta,22S,30R,31R,32R,33S,34S)-35-Amino-3-methyl-30,31,32,33,34-bacteriohopanepentol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H65NO5
Net Charge0
Average Mass591.918
Monoisotopic Mass591.48627
SMILESCC([C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CN)[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)CCC(C)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@H]12
InChIInChI=1S/C36H65NO5/c1-20-11-15-34(6)25(32(20,3)4)14-18-36(8)27(34)10-9-26-33(5)16-12-22(23(33)13-17-35(26,36)7)21(2)28(39)30(41)31(42)29(40)24(38)19-37/h20-31,38-42H,9-19,37H2,1-8H3/t20?,21?,22-,23+,24+,25+,26-,27-,28-,29+,30-,31+,33+,34+,35-,36-/m1/s1
InChIKeyNYINOFIIAOPILH-HVGYHSOBSA-N
Species of MetaboliteComponentSourceComments
Methylocaldumspecies (ncbitaxon:1969727) - PubMed (10620693)
ChEBI Ontology
Outgoing Relation(s)
(3beta,22S,30R,31R,32R,33S,34S)-35-Amino-3-methyl-30,31,32,33,34-bacteriohopanepentol (CHEBI:212430) is a hopanoid (CHEBI:51963)
IUPAC Name 
(2S,3S,4R,5R,6R)-7-[(3S,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,9,11a,13b-heptamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]-1-aminooctane-2,3,4,5,6-pentol