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CHEBI:218571 - Blasticidin A

ChEBI IDCHEBI:218571
ChEBI NameBlasticidin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC58H107NO23
Net Charge0
Average Mass1186.478
Monoisotopic Mass1185.72339
SMILESCCCCCCCCCC[C@@H](O)C[C@]1(O)O[C@H](CC(O)C(O)C(O)C(O)C(O)CC(O)CC(O)CC(O)CC(O)C(C)C(O)C(C)C(O)CC(O)C(C)C(O)C(O)C[C@H](C)C[C@H](C)/C=C(C)/C(O)=C2\C(=O)CN(C)C2=O)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C58H107NO23/c1-9-10-11-12-13-14-15-16-17-35(60)27-58(81)56(79)55(78)53(76)46(82-58)26-44(69)52(75)54(77)51(74)43(68)24-38(63)22-36(61)21-37(62)23-39(64)32(5)49(72)33(6)40(65)25-41(66)34(7)50(73)42(67)20-30(3)18-29(2)19-31(4)48(71)47-45(70)28-59(8)57(47)80/h19,29-30,32-44,46,49-56,60-69,71-79,81H,9-18,20-28H2,1-8H3/b31-19+,48-47-/t29-,30+,32?,33?,34?,35+,36?,37?,38?,39?,40?,41?,42?,43?,44?,46+,49?,50?,51?,52?,53+,54?,55-,56-,58-/m0/s1
InChIKeyVVBSMETZVCGSHB-YOYVLXAYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus parasiticus (ncbitaxon:5067) - PubMed (11213287)
ChEBI Ontology
Outgoing Relation(s)
Blasticidin A (CHEBI:218571) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(3Z)-1-methyl-3-[(E,4S,6R)-1,8,9,11,13,15,17,19,21,23,25,26,27,28,29-pentadecahydroxy-2,4,6,10,14,16-hexamethyl-30-[(2R,3S,4S,5S,6S)-3,4,5,6-tetrahydroxy-6-[(2R)-2-hydroxydodecyl]oxan-2-yl]triacont-2-enylidene]pyrrolidine-2,4-dione
Manual XrefsDatabases
78445199ChemSpider