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CHEBI:198705 - Cervimycin D

ChEBI IDCHEBI:198705
ChEBI NameCervimycin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC60H79NO25
Net Charge0
Average Mass1214.274
Monoisotopic Mass1213.49412
SMILESCOC1=CC(=O)c2c(cc3c(c2O)C(=O)[C@@]2(O[C@H]4CC[C@H](O[C@H]5CC[C@H](O)[C@@H](C)O5)[C@@H](C)O4)C(O)=C(C(N)=O)C(=O)[C@H](O[C@H]4CC[C@H](O[C@H]5CC[C@H](O[C@H]6CC[C@H](O[C@H]7CC[C@H](OC(=O)C(C)C(=O)O)[C@H](C)O7)[C@H](C)O6)[C@H](C)O5)[C@@H](C)O4)[C@H]2C3)C1=O
InChIInChI=1S/C60H79NO25/c1-24(58(70)71)59(72)84-40-13-18-45(77-30(40)7)82-37-11-16-43(75-27(37)4)81-36-10-17-44(76-26(36)3)83-38-12-19-46(78-28(38)5)85-54-33-22-31-21-32-49(35(63)23-41(73-8)51(32)64)52(65)48(31)55(67)60(33,56(68)50(53(54)66)57(61)69)86-47-20-14-39(29(6)79-47)80-42-15-9-34(62)25(2)74-42/h21,23-30,33-34,36-40,42-47,54,62,65,68H,9-20,22H2,1-8H3,(H2,61,69)(H,70,71)/t24?,25-,26+,27+,28-,29-,30+,33-,34+,36+,37+,38+,39+,40+,42+,43+,44+,45+,46+,47+,54-,60-/m1/s1
InChIKeyYQSUNUWAYVGFKR-DIMVSIEISA-N
Species of MetaboliteComponentSourceComments
Streptomyces tendae (ncbitaxon:1932) - PubMed (15940739)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Cervimycin D (CHEBI:198705) is a anthracycline (CHEBI:48120)
IUPAC Name 
3-[(2S,3S,6S)-6-[(2S,3S,6S)-6-[(2S,3S,6S)-6-[(2R,3S,6S)-6-[[(1R,4aS,12aR)-3-carbamoyl-4,6-dihydroxy-4a-[(2S,5S,6R)-5-[(2S,5S,6R)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-methoxy-2,5,7,10-tetraoxo-12,12a-dihydro-1H-tetracen-1-yl]oxy]-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyl-3-oxopropanoic acid
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78436392ChemSpider