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CHEBI:211272 - Cyclomarin C

ChEBI IDCHEBI:211272
ChEBI NameCyclomarin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC56H82N8O10
Net Charge0
Average Mass1027.318
Monoisotopic Mass1026.61539
SMILESC=CC(C)(C)n1cc([C@@H](O)[C@@H]2NC(=O)[C@H]([C@H](C)C=C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H]([C@H](OC)c3ccccc3)NC(=O)[C@H](C)NC(=O)[C@H](C[C@@H](C)CO)N(C)C2=O)c2ccccc21
InChIInChI=1S/C56H82N8O10/c1-16-56(11,12)64-29-39(38-24-20-21-25-40(38)64)47(66)45-55(73)63(14)42(28-34(8)30-65)50(68)57-36(10)49(67)61-46(48(74-15)37-22-18-17-19-23-37)53(71)58-43(33(6)7)54(72)62(13)41(27-32(4)5)51(69)59-44(52(70)60-45)35(9)26-31(2)3/h16-26,29,32-36,41-48,65-66H,1,27-28,30H2,2-15H3,(H,57,68)(H,58,71)(H,59,69)(H,60,70)(H,61,67)/t34-,35-,36+,41+,42+,43+,44+,45+,46+,47-,48-/m1/s1
InChIKeyNCUTXLGVUNPWKM-XCLVBVFRSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1021/ja992482o)
ChEBI Ontology
Outgoing Relation(s)
Cyclomarin C (CHEBI:211272) is a azamacrocycle (CHEBI:52898)
Cyclomarin C (CHEBI:211272) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(3S,6S,9S,12S,15S,18S,21S)-3-[(R)-hydroxy-[1-(2-methylbut-3-en-2-yl)indol-3-yl]methyl]-21-[(2R)-3-hydroxy-2-methylpropyl]-15-[(R)-methoxy(phenyl)methyl]-1,10,18-trimethyl-6-[(2R)-4-methylpent-3-en-2-yl]-9-(2-methylpropyl)-12-propan-2-yl-1,4,7,10,13,16,19-heptazacyclohenicosane-2,5,8,11,14,17,20-heptone
Manual XrefsDatabases
9380481ChemSpider