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CHEBI:215207 - Nosokomycin A

ChEBI IDCHEBI:215207
ChEBI NameNosokomycin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC64H103N4O33P
Net Charge0
Average Mass1487.497
Monoisotopic Mass1486.62422
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(=O)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/C64H103N4O33P/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(55(81)82)27-91-102(87,88)101-61-51(52(100-62(66)85)64(11,86)53(99-61)54(65)80)98-58-39(68-34(8)71)42(74)49(36(94-58)26-90-59-46(78)43(75)40(72)35(25-69)93-59)96-57-38(67-33(7)70)41(73)48(32(6)92-57)95-60-47(79)44(76)45(77)50(97-60)56(83)84/h12-13,15,18,21,32,35-53,57-61,69,72-79,86H,5,14,16-17,19-20,22-27H2,1-4,6-11H3,(H2,65,80)(H2,66,85)(H,67,70)(H,68,71)(H,81,82)(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
InChIKeyAFBSECGAINOYAH-OQDLKAIYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces cyslabdanicus (ncbitaxon:1470456) - PubMed (20186168)
ChEBI Ontology
Outgoing Relation(s)
Nosokomycin A (CHEBI:215207) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
(2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3R,4R,5S,6S)-6-carbamoyl-4-carbamoyloxy-2-[[(2R)-2-carboxy-2-[(2Z,5E,13E)-3,8,8,14,18-pentamethyl-11-methylidenenonadeca-2,5,13,17-tetraenoxy]ethoxy]-hydroxyphosphoryl]oxy-5-hydroxy-5-methyloxan-3-yl]oxy-4-hydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid