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CHEBI:199312 - (1S,8R,11S,18R,21S,24R)-10,11-dimethyl-21-(2-methylpropyl)-24-[(S)-1-methylpropyl]-3,4,10,13,14,20,23,26,27-nonaazatetracyclo[24.4.0.03,8.013,18]triacontane-2,9,12,19,22,25-hexaone

ChEBI IDCHEBI:199312
ChEBI Name(1S,8R,11S,18R,21S,24R)-10,11-dimethyl-21-(2-methylpropyl)-24-[(S)-1-methylpropyl]-3,4,10,13,14,20,23,26,27-nonaazatetracyclo[24.4.0.03,8.013,18]triacontane-2,9,12,19,22,25-hexaone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H53N9O6
Net Charge0
Average Mass647.822
Monoisotopic Mass647.41188
SMILESCC[C@H](C)[C@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H]2CCCNN2C(=O)[C@H](C)N(C)C(=O)[C@H]2CCCNN2C(=O)[C@@H]2CCCNN2C1=O
InChIInChI=1S/C31H53N9O6/c1-7-19(4)25-31(46)40-24(13-10-16-34-40)30(45)39-23(12-9-15-33-39)29(44)37(6)20(5)28(43)38-22(11-8-14-32-38)27(42)35-21(17-18(2)3)26(41)36-25/h18-25,32-34H,7-17H2,1-6H3,(H,35,42)(H,36,41)/t19-,20-,21-,22+,23+,24-,25+/m0/s1
InChIKeyAHVYNRPQGLJIJS-MHVKPSTLSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (24224794)
ChEBI Ontology
Outgoing Relation(s)
(1S,8R,11S,18R,21S,24R)-10,11-dimethyl-21-(2-methylpropyl)-24-[(S)-1-methylpropyl]-3,4,10,13,14,20,23,26,27-nonaazatetracyclo[24.4.0.03,8.013,18]triacontane-2,9,12,19,22,25-hexaone (CHEBI:199312) is a azamacrocycle (CHEBI:52898)
(1S,8R,11S,18R,21S,24R)-10,11-dimethyl-21-(2-methylpropyl)-24-[(S)-1-methylpropyl]-3,4,10,13,14,20,23,26,27-nonaazatetracyclo[24.4.0.03,8.013,18]triacontane-2,9,12,19,22,25-hexaone (CHEBI:199312) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(1S,8R,11S,18R,21S,24R)-24-[(2S)-butan-2-yl]-10,11-dimethyl-21-(2-methylpropyl)-3,4,10,13,14,20,23,26,27-nonazatetracyclo[24.4.0.03,8.013,18]triacontane-2,9,12,19,22,25-hexone
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