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CHEBI:215251 - Abybetaomycin Z

ChEBI IDCHEBI:215251
ChEBI NameAbybetaomycin Z
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H34N2O11S
Net Charge0
Average Mass618.661
Monoisotopic Mass618.18833
SMILESCC1C[C@@]23OC(=O)C4=C(O)[C@H](C)C[C@@](C)(O)C(=O)[C@H]5C(SC[C@](C)(NC(=O)c6ncccc6O)C(=O)O)C2C(O)[C@@H]1O[C@]453
InChIInChI=1S/C29H34N2O11S/c1-11-8-27(4,40)22(35)16-21(43-10-26(3,25(38)39)31-23(36)17-13(32)6-5-7-30-17)14-19(34)20-12(2)9-28(14)29(16,41-20)15(18(11)33)24(37)42-28/h5-7,11-12,14,16,19-21,32-34,40H,8-10H2,1-4H3,(H,31,36)(H,38,39)/t11-,12?,14?,16-,19?,20-,21?,26+,27-,28-,29-/m1/s1
InChIKeyWOKGFSOGLPUSFC-FFODJPCZSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31986449)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Abybetaomycin Z (CHEBI:215251) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
(2R)-2-[(3-hydroxypyridine-2-carbonyl)amino]-2-methyl-3-[[(1R,5S,7R,9R,14R,18S)-2,7,10-trihydroxy-7,9,16-trimethyl-6,12-dioxo-13,17-dioxapentacyclo[9.5.2.03,14.05,18.014,18]octadec-10-en-4-yl]sulanyl]propanoic acid