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CHEBI:203745 - Nosokomycin B

ChEBI IDCHEBI:203745
ChEBI NameNosokomycin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC64H104N5O32P
Net Charge0
Average Mass1486.513
Monoisotopic Mass1485.64020
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]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[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/C64H104N5O32P/c1-28(2)15-14-17-29(3)18-19-31(5)20-23-63(9,10)22-13-12-16-30(4)21-24-89-37(56(83)84)27-91-102(87,88)101-61-51(52(100-62(67)85)64(11,86)53(99-61)55(66)82)98-58-39(69-34(8)72)42(75)49(36(94-58)26-90-59-46(79)43(76)40(73)35(25-70)93-59)96-57-38(68-33(7)71)41(74)48(32(6)92-57)95-60-47(80)44(77)45(78)50(97-60)54(65)81/h12-13,15,18,21,32,35-53,57-61,70,73-80,86H,5,14,16-17,19-20,22-27H2,1-4,6-11H3,(H2,65,81)(H2,66,82)(H2,67,85)(H,68,71)(H,69,72)(H,83,84)(H,87,88)/b13-12+,29-18+,30-21-/t32-,35-,36-,37-,38-,39-,40-,41-,42-,43+,44+,45+,46-,47-,48-,49-,50+,51-,52-,53-,57+,58+,59-,60-,61-,64+/m1/s1
InChIKeyTYUZCHWUMDBFJO-OQDLKAIYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces cyslabdanicus (ncbitaxon:1470456) - PubMed (20186168)
ChEBI Ontology
Outgoing Relation(s)
Nosokomycin B (CHEBI:203745) 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-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]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