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CHEBI:221653 - Cyclomarin D

ChEBI IDCHEBI:221653
ChEBI NameCyclomarin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H80N8O10
Net Charge0
Average Mass1013.291
Monoisotopic Mass1012.59974
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)NC2=O)c2ccccc21
InChIInChI=1S/C55H80N8O10/c1-15-55(11,12)63-28-38(37-23-19-20-24-40(37)63)46(65)44-52(70)57-39(27-33(8)29-64)49(67)56-35(10)48(66)61-45(47(73-14)36-21-17-16-18-22-36)53(71)58-42(32(6)7)54(72)62(13)41(26-31(4)5)50(68)59-43(51(69)60-44)34(9)25-30(2)3/h15-25,28,31-35,39,41-47,64-65H,1,26-27,29H2,2-14H3,(H,56,67)(H,57,70)(H,58,71)(H,59,68)(H,60,69)(H,61,66)/t33-,34-,35+,39+,41+,42+,43+,44+,45+,46-,47-/m1/s1
InChIKeyAHDUXXXZGSWYHF-IXGGKXOYSA-N
Species of MetaboliteComponentSourceComments
Salinispora arenicola CNS-205 (ncbitaxon:391037) - PubMed (18331040)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cyclomarin D (CHEBI:221653) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3S,6S,9S,12S,15S,18S,21S)-15-[(R)-hydroxy-[1-(2-methylbut-3-en-2-yl)indol-3-yl]methyl]-12-[(2R)-3-hydroxy-2-methylpropyl]-6-[(R)-methoxy(phenyl)methyl]-1,9-dimethyl-18-[(2R)-4-methylpent-3-en-2-yl]-21-(2-methylpropyl)-3-propan-2-yl-1,4,7,10,13,16,19-heptazacyclohenicosane-2,5,8,11,14,17,20-heptone
Manual XrefsDatabases
24604835ChemSpider