EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:200673 - ECO-02301

ChEBI IDCHEBI:200673
ChEBI NameECO-02301
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC70H108N2O20
Net Charge0
Average Mass1297.628
Monoisotopic Mass1296.74954
SMILESCC1OC(OC(C/C=C/C=C/C=C/C=C/C=C/C(O)[C@H](C)C(O)[C@H](C)/C=C/CC/C=C/C=C/C=C/C=C/C(=O)NC2=C(O)CCC2=O)C(C)C(=O)CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)CCCN)C(O)C(O)C1O
InChIInChI=1S/C70H108N2O20/c1-46(27-20-16-12-8-5-6-11-15-19-23-35-64(86)72-65-60(83)36-37-61(65)84)66(87)48(3)59(82)33-21-17-13-9-7-10-14-18-22-34-63(92-70-69(90)68(89)67(88)49(4)91-70)47(2)62(85)45-58(81)44-57(80)42-53(76)31-25-30-52(75)41-56(79)43-55(78)40-51(74)29-24-28-50(73)39-54(77)32-26-38-71/h5-11,13-15,17-25,27,29,31,33,35,46-59,63,66-70,73-83,87-90H,12,16,26,28,30,32,34,36-45,71H2,1-4H3,(H,72,86)/b8-5+,9-7+,11-6+,14-10+,17-13+,19-15+,22-18+,27-20+,29-24+,31-25+,33-21+,35-23+/t46-,47?,48+,49?,50?,51?,52?,53?,54?,55?,56?,57?,58?,59?,63?,66?,67?,68?,69?,70?/m1/s1
InChIKeyNLVFTSADLUSKGV-PJVYZREHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (15844935)
ChEBI Ontology
Outgoing Relation(s)
ECO-02301 (CHEBI:200673) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
(2E,4E,6E,8E,12E,14R,16S,18E,20E,22E,24E,26E,38E,48E)-56-amino-15,17,33,35,37,41,43,45,47,51,53-undecahydroxy-N-(2-hydroxy-5-oxocyclopenten-1-yl)-14,16,30-trimethyl-31-oxo-29-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexapentaconta-2,4,6,8,12,18,20,22,24,26,38,48-dodecaenamide
Manual XrefsDatabases
78445497ChemSpider