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CHEBI:212422 - (22S,30R,31R,32R,33S,34S)-35-Amino-30,31,32,33,34-bacteriohopanepentol

ChEBI IDCHEBI:212422
ChEBI Name(22S,30R,31R,32R,33S,34S)-35-Amino-30,31,32,33,34-bacteriohopanepentol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC35H63NO5
Net Charge0
Average Mass577.891
Monoisotopic Mass577.47062
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)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@H]12
InChIInChI=1S/C35H63NO5/c1-20(27(38)29(40)30(41)28(39)23(37)19-36)21-11-16-32(4)22(21)12-17-34(6)25(32)9-10-26-33(5)15-8-14-31(2,3)24(33)13-18-35(26,34)7/h20-30,37-41H,8-19,36H2,1-7H3/t20?,21-,22+,23+,24+,25-,26-,27-,28+,29-,30+,32+,33+,34-,35-/m1/s1
InChIKeyNSCULDDFRWOMLE-JVOSUIESSA-N
Species of MetaboliteComponentSourceComments
Methylocaldumspecies (ncbitaxon:1969727) - PubMed (10620693)
ChEBI Ontology
Outgoing Relation(s)
(22S,30R,31R,32R,33S,34S)-35-Amino-30,31,32,33,34-bacteriohopanepentol (CHEBI:212422) is a hopanoid (CHEBI:51963)
IUPAC Name 
(2S,3S,4R,5R,6R)-7-[(3S,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-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