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CHEBI:166664 - N-Tryptophanyl-35-aminobacteriohopane-32,33,34-triol

ChEBI IDCHEBI:166664
ChEBI NameN-Tryptophanyl-35-aminobacteriohopane-32,33,34-triol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC46H73N3O4
Net Charge0
Average Mass732.107
Monoisotopic Mass731.56011
SMILESCC(CCC(O)C(O)C(O)CNC(=O)C(N)Cc1cnc2ccccc12)C1CC[C@@]2(C)C1CC[C@]1(C)C2CCC2[C@@]3(C)CCCC(C)(C)C3CC[C@]21C
InChIInChI=1S/C46H73N3O4/c1-28(13-14-35(50)40(52)36(51)27-49-41(53)33(47)25-29-26-48-34-12-9-8-11-31(29)34)30-17-22-43(4)32(30)18-23-45(6)38(43)15-16-39-44(5)21-10-20-42(2,3)37(44)19-24-46(39,45)7/h8-9,11-12,26,28,30,32-33,35-40,48,50-52H,10,13-25,27,47H2,1-7H3,(H,49,53)/t28?,30?,32?,33?,35?,36?,37?,38?,39?,40?,43-,44-,45+,46+/m0/s1
InChIKeyXTJANJPNCSBRIB-XYDBGSQQSA-N
ChEBI Ontology
Outgoing Relation(s)
N-Tryptophanyl-35-aminobacteriohopane-32,33,34-triol (CHEBI:166664) is a hopanoid (CHEBI:51963)
IUPAC Name 
N-[7-[(5aR,5bR,11aS,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]-2,3,4-trihydroxyoctyl]-2-amino-3-(1H-indol-3-yl)propanamide
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