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CHEBI:225851 - Kendomycin D

ChEBI IDCHEBI:225851
ChEBI NameKendomycin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H49NO8S
Net Charge0
Average Mass631.832
Monoisotopic Mass631.31789
SMILESCC(=O)N[C@H](CSC1=C2C3=CC(=O)C(O)=C2[C@@H]2O[C@H](CC[C@H](C)/C=C(\C)C[C@@H](C)C[C@H](C)[C@]1(O)O3)[C@H](C)[C@H](C)[C@H]2C)C(=O)O
InChIInChI=1S/C34H49NO8S/c1-16-9-10-26-21(6)20(5)22(7)31(42-26)29-28-27(14-25(37)30(29)38)43-34(41,19(4)13-18(3)12-17(2)11-16)32(28)44-15-24(33(39)40)35-23(8)36/h11,14,16,18-22,24,26,31,38,41H,9-10,12-13,15H2,1-8H3,(H,35,36)(H,39,40)/b17-11+/t16-,18+,19-,20-,21+,22+,24+,26+,31+,34-/m0/s1
InChIKeyQWQCRFWOSZYFRF-XZDRQHPQSA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - PubMed (31765156)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Kendomycin D (CHEBI:225851) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
(2S)-2-acetamido-3-[[(1R,9S,10S,12S,14E,16S,19R,20R,21S,22R)-3,9-dihydroxy-10,12,14,16,20,21,22-heptamethyl-4-oxo-23,24-dioxatetracyclo[17.3.1.16,9.02,7]tetracosa-2,5,7,14-tetraen-8-yl]sulanyl]propanoic acid