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CHEBI:207397 - Naphthomycinoside

ChEBI IDCHEBI:207397
ChEBI NameNaphthomycinoside
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FormulaC45H58ClNO14
Net Charge0
Average Mass872.405
Monoisotopic Mass871.35458
SMILESC/C(=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C/[C@@H](O)C/C=C(\C)C(=O)C[C@H](O)[C@@H](C)/C=C/C=C\C=C/C(=O)Nc1c(Cl)c(O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]2O)c2cc(O)c(C)cc2c1O)C(=O)O
InChIInChI=1S/C45H58ClNO14/c1-22(33(50)21-34(51)23(2)14-16-29(48)17-15-24(3)38(53)26(5)18-27(6)44(58)59)12-10-8-9-11-13-35(52)47-37-36(46)43(31-20-32(49)25(4)19-30(31)40(37)55)61-45-42(57)41(56)39(54)28(7)60-45/h8-15,17-20,22,24,26,28-29,33,38-39,41-42,45,48-50,53-57H,16,21H2,1-7H3,(H,47,52)(H,58,59)/b9-8-,12-10+,13-11-,17-15+,23-14+,27-18+/t22-,24-,26-,28-,29-,33-,38-,39+,41+,42+,45-/m0/s1
InChIKeyVQWNHRGKFQAPGU-SJEHKEGLSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (28406643)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Naphthomycinoside (CHEBI:207397) is a very long-chain fatty acid (CHEBI:27283)
IUPAC Name 
(2E,4S,5S,6S,7E,9S,11E,15S,16S,17E,19Z,21Z)-23-[[3-chloro-1,6-dihydroxy-7-methyl-4-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxynaphthalen-2-yl]amino]-5,9,15-trihydroxy-2,4,6,12,16-pentamethyl-13,23-dioxotricosa-2,7,11,17,19,21-hexaenoic acid
Manual XrefsDatabases
78439878ChemSpider