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CHEBI:220978 - Aldgamycin P

ChEBI IDCHEBI:220978
ChEBI NameAldgamycin P
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H58O16
Net Charge0
Average Mass758.855
Monoisotopic Mass758.37249
SMILESCO[C@@H]1[C@H](O)[C@@H](C)O[C@@H](OCC2[C@@H](C)OC(=O)/C=C/[C@H](C)C(O[C@@H]3O[C@H](C)C[C@@]4(OC(=O)O[C@H]4C)[C@H]3O)[C@@H](C)C[C@](C)(O)C(=O)CC[C@@H]3O[C@@H]23)[C@@H]1OC
InChIInChI=1S/C37H58O16/c1-17-10-13-26(39)48-20(4)23(16-46-33-31(45-9)30(44-8)27(40)21(5)49-33)29-24(51-29)11-12-25(38)36(7,43)14-18(2)28(17)52-34-32(41)37(15-19(3)47-34)22(6)50-35(42)53-37/h10,13,17-24,27-34,40-41,43H,11-12,14-16H2,1-9H3/b13-10+/t17-,18-,19+,20+,21+,22-,23?,24-,27+,28?,29-,30+,31+,32-,33+,34-,36-,37-/m0/s1
InChIKeyUPLGFIAZLRKBJD-ZFVCAGSTSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies HK-2006-1 (ncbitaxon:1470402) - PubMed (27191535)
ChEBI Ontology
Outgoing Relation(s)
Aldgamycin P (CHEBI:220978) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,3R,6E,8S,10S,12S,16S)-12-hydroxy-2-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-9-[[(4S,5R,6R,7S,9R)-6-hydroxy-4,9-dimethyl-2-oxo-1,3,8-trioxaspiro[4.5]decan-7-yl]oxy]-3,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadec-6-ene-5,13-dione