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CHEBI:217940 - ECO-0501

ChEBI IDCHEBI:217940
ChEBI NameECO-0501
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H68N4O10
Net Charge0
Average Mass837.068
Monoisotopic Mass836.49354
SMILESC/C(=C\C=C\C=C\C=C\C=C\C(C)C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)/C(C)=C/C(C)CCC/C=C/C(C)C/C=C/CCCN(C)C(=N)N)C(=O)NC1=C(O)CCC1=O
InChIInChI=1S/C46H68N4O10/c1-30(21-15-12-13-20-28-50(6)46(47)48)22-16-14-17-23-31(2)29-34(5)41(59-45-40(55)38(53)39(54)42(60-45)44(57)58)32(3)24-18-10-8-7-9-11-19-25-33(4)43(56)49-37-35(51)26-27-36(37)52/h7-12,15-16,18-19,22,24-25,29-32,38-42,45,51,53-55H,13-14,17,20-21,23,26-28H2,1-6H3,(H3,47,48)(H,49,56)(H,57,58)/b9-7+,10-8+,15-12+,19-11+,22-16+,24-18+,33-25+,34-29+/t30?,31?,32?,38-,39-,40+,41?,42-,45+/m0/s1
InChIKeyJZUVOAOWVXOKMW-BRUGUNMHSA-N
Species of MetaboliteComponentSourceComments
Amycolatopsis (ncbitaxon:1813) - PubMed (17136886)
ChEBI Ontology
Outgoing Relation(s)
ECO-0501 (CHEBI:217940) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
(2S,3S,4S,5R,6R)-6-[(2E,4E,6E,8E,10E,14E,20E,24E)-28-[carbamimidoyl(methyl)amino]-1-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-2,12,14,16,22-pentamethyl-1-oxooctacosa-2,4,6,8,10,14,20,24-octaen-13-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
17267050ChemSpider