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CHEBI:202873 - Chromomycin A2

ChEBI IDCHEBI:202873
ChEBI NameChromomycin A2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H86O26
Net Charge0
Average Mass1211.311
Monoisotopic Mass1210.54073
SMILESCO[C@@H]1[C@H](O)C[C@@H](O[C@@H]2C[C@H](Oc3cc4cc5c(c(O)c4c(O)c3C)C(=O)[C@@H](O[C@H]3C[C@@H](O[C@H]4C[C@@H](O[C@H]6C[C@](C)(O)[C@@H](OC(=O)C(C)C)[C@H](C)O6)[C@H](O)[C@@H](C)O4)[C@H](O)[C@@H](C)O3)[C@H]([C@H](OC)C(=O)[C@@H](O)[C@@H](C)O)C5)O[C@H](C)[C@@H]2OC(C)=O)O[C@@H]1C
WURCSWURCS=2.0/4,5,4/[ad122m-1b_1-5][ad112m-1b_1-5_4*OCC/3=O][ad112m-1a_1-5_4*OC][ad611m-1a_1-5_3*C_4*OCCC/4C/3=O]/1-2-3-1-4/a1n2-b1n1*1O(CCCCCCCC$5/6CC$3/12)C(/11)O(/9)CC^SC^SCC^SC^RC/20O/19O/18=O/17OC/16C^SO*2/27C($8/7)O/30=O_a3-d1_b3-c1_d3-e1
InChIInChI=1S/C59H86O26/c1-22(2)58(70)85-57-29(9)78-43(21-59(57,11)71)82-37-18-40(74-25(5)49(37)66)81-36-19-42(75-26(6)48(36)65)84-56-33(55(73-13)52(69)47(64)24(4)60)15-31-14-32-16-35(23(3)46(63)44(32)50(67)45(31)51(56)68)80-41-20-38(54(28(8)77-41)79-30(10)61)83-39-17-34(62)53(72-12)27(7)76-39/h14,16,22,24-29,33-34,36-43,47-49,53-57,60,62-67,71H,15,17-21H2,1-13H3/t24-,25-,26-,27-,28-,29+,33+,34-,36-,37-,38-,39-,40+,41+,42+,43+,47+,48-,49-,53+,54+,55+,56+,57+,59+/m1/s1
InChIKeyWPLCTUHONLQGIX-TWTCTLMISA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/s0040-4020(01)83328-7)
ChEBI Ontology
Outgoing Relation(s)
Chromomycin A2 (CHEBI:202873) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
[(2S,3S,4S,6S)-6-[(2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-[[(2S,3S)-6-[(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-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-8,9-dihydroxy-7-methyl-1-oxo-3,4-dihydro-2H-anthracen-2-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]oxy-3-hydroxy-2-methyloxan-4-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 2-methylpropanoate
Manual XrefsDatabases
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