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CHEBI:210443 - Calothrixamide B

ChEBI IDCHEBI:210443
ChEBI NameCalothrixamide B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H54N2O4
Net Charge0
Average Mass494.761
Monoisotopic Mass494.40836
SMILESCCCCCC[C@H](C)[C@@H](CCCCCCCC[C@@H](C)/C=C\C=C(/C)C(=O)N[C@@H](C)CO)OC(N)=O
InChIInChI=1S/C29H54N2O4/c1-6-7-8-14-19-24(3)27(35-29(30)34)21-15-12-10-9-11-13-17-23(2)18-16-20-25(4)28(33)31-26(5)22-32/h16,18,20,23-24,26-27,32H,6-15,17,19,21-22H2,1-5H3,(H2,30,34)(H,31,33)/b18-16-,25-20+/t23-,24+,26+,27-/m1/s1
InChIKeyWQPQQBBVOYDVPX-VBDFEYIOSA-N
Species of MetaboliteComponentSourceComments
Calothrix (ncbitaxon:1186) - PubMed (30192537)
ChEBI Ontology
Outgoing Relation(s)
Calothrixamide B (CHEBI:210443) is a carboximidic acid (CHEBI:48378)
IUPAC Name 
[(7S,8R,17R,18Z,20E)-22-[[(2S)-1-hydroxypropan-2-yl]amino]-7,17,21-trimethyl-22-oxodocosa-18,20-dien-8-yl] carbamate
Manual XrefsDatabases
78439141ChemSpider