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CHEBI:200416 - 35-amino-3beta-methylbacteriohop-11-ene-30,31,32,33,34-pentol

ChEBI IDCHEBI:200416
ChEBI Name35-amino-3beta-methylbacteriohop-11-ene-30,31,32,33,34-pentol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H63NO5
Net Charge0
Average Mass589.902
Monoisotopic Mass589.47062
SMILESCC(C(O)C(O)C(O)C(O)C(O)CN)[C@H]1CC[C@]2(C)[C@H]3C=C[C@@H]4[C@@]5(C)CC[C@H](C)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@H]12
InChIInChI=1S/C36H63NO5/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/h9-10,20-31,38-42H,11-19,37H2,1-8H3/t20-,21?,22+,23-,24?,25-,26+,27+,28?,29?,30?,31?,33-,34-,35+,36+/m0/s1
InChIKeyNATYWQKUZWVIEC-ZFURDNIHSA-N
Species of MetaboliteComponentSourceComments
Methylocaldumspecies (ncbitaxon:1969727) - DOI (10.1016/s0378-1097(99)00610-2)
ChEBI Ontology
Outgoing Relation(s)
35-amino-3beta-methylbacteriohop-11-ene-30,31,32,33,34-pentol (CHEBI:200416) is a hopanoid (CHEBI:51963)
IUPAC Name 
7-[(3S,3aS,5aR,5bR,7aS,9S,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,13a-tetradecahydrocyclopenta[a]chrysen-3-yl]-1-aminooctane-2,3,4,5,6-pentol
Manual XrefsDatabases
78445065ChemSpider