CHEBI:204199 - Chromomycin SA3

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Chromomycin SA3
ChEBI ID CHEBI:204199
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C52H74O24
Net Charge 0
Average Mass 1083.140
Monoisotopic Mass 1082.45700
InChI InChI=1S/C52H74O24/c1-19-30(72-36-17-33(47(23(5)69-36)71-25(7)53)75-34-14-29(54)46(64-9)22(4)68-34)13-27-11-26-12-28(49(65-10)51(61)62)48(45(59)40(26)44(58)39(27)41(19)55)76-37-16-31(42(56)21(3)67-37)73-35-15-32(43(57)20(2)66-35)74-38-18-52(8,63)50(60)24(6)70-38/h11,13,20-24,28-29,31-38,42-43,46-50,54-58,60,63H,12,14-18H2,1-10H3,(H,61,62)/t20-,21-,22-,23-,24+,28-,29-,31-,32-,33-,34-,35+,36+,37+,38+,42-,43-,46+,47+,48+,49+,50+,52+/m1/s1
InChIKey QEEWAFQSSOXMIW-GYCRCYRZSA-N
SMILES O=C1C2=C(O)C3=C(O)C(=C(O[C@@H]4O[C@@H]([C@H](OC(=O)C)[C@@H](C4)O[C@H]5O[C@@H]([C@H](OC)[C@@H](C5)O)C)C)C=C3C=C2C[C@H]([C@@H]1O[C@@H]6O[C@@H]([C@@H](O)[C@@H](C6)O[C@@H]7O[C@@H]([C@@H](O)[C@@H](C7)O[C@@H]8O[C@H]([C@H](O)[C@](C8)(O)C)C)C)C)[C@H](OC)C(=O)O)C
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) See: PubMed
ChEBI Ontology
Outgoing Chromomycin SA3 (CHEBI:204199) is a oligosaccharide (CHEBI:50699)
IUPAC Name
(2S)-2-[(2R,3S)-7-[(2S,4R,5S,6R)-5-acetyloxy-4-[(2R,4R,5R,6R)-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3-[(2S,4R,5R,6R)-4-[(2S,4R,5R,6R)-4-[(2S,4S,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5,10-dihydroxy-6-methyl-4-oxo-2,3-dihydro-1H-anthracen-2-yl]-2-methoxyacetic acid
Manual Xref Database
32674867 ChemSpider
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