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CHEBI:205159 - Nosokomycin D

ChEBI IDCHEBI:205159
ChEBI NameNosokomycin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC58H94N5O27P
Net Charge0
Average Mass1324.372
Monoisotopic Mass1323.58738
SMILESC=C(C/C=C(\C)CCC=C(C)C)CCC(C)(C)C/C=C/C/C(C)=C\CO[C@H](COP(=O)(O)O[C@H]1O[C@H](C(N)=O)[C@@](C)(O)[C@H](OC(N)=O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@@H]3O[C@H](C(N)=O)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)C(=O)O
InChIInChI=1S/C58H94N5O27P/c1-27(2)15-14-17-28(3)18-19-30(5)20-23-57(9,10)22-13-12-16-29(4)21-24-80-35(51(74)75)26-81-91(78,79)90-55-46(47(89-56(61)76)58(11,77)48(88-55)50(60)73)87-53-37(63-33(8)66)39(68)44(34(25-64)83-53)85-52-36(62-32(7)65)38(67)43(31(6)82-52)84-54-42(71)40(69)41(70)45(86-54)49(59)72/h12-13,15,18,21,31,34-48,52-55,64,67-71,77H,5,14,16-17,19-20,22-26H2,1-4,6-11H3,(H2,59,72)(H2,60,73)(H2,61,76)(H,62,65)(H,63,66)(H,74,75)(H,78,79)/b13-12+,28-18+,29-21-/t31-,34-,35-,36-,37-,38-,39-,40+,41+,42-,43-,44-,45+,46-,47-,48-,52+,53+,54-,55-,58+/m1/s1
InChIKeyHAFIOCYTDXYWKI-WKIRDRJHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces cyslabdanicus (ncbitaxon:1470456) - PubMed (20203703)
ChEBI Ontology
Outgoing Relation(s)
Nosokomycin D (CHEBI:205159) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
(2R)-3-[[(2R,3R,4R,5S,6S)-3-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2R,3R,4S,5S,6S)-6-carbamoyl-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-carbamoyl-4-carbamoyloxy-5-hydroxy-5-methyloxan-2-yl]oxy-hydroxyphosphoryl]oxy-2-[(2Z,5E,13E)-3,8,8,14,18-pentamethyl-11-methylidenenonadeca-2,5,13,17-tetraenoxy]propanoic acid