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CHEBI:224515 - Homodolastatin 3

ChEBI IDCHEBI:224515
ChEBI NameHomodolastatin 3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42N8O6S2
Net Charge0
Average Mass674.850
Monoisotopic Mass674.26687
SMILESCCC(C)[C@@H]1NC(=O)c2csc(n2)CNC(=O)c2csc(n2)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C1=O
InChIInChI=1S/C30H42N8O6S2/c1-5-16(4)24-30(44)38-10-6-7-21(38)28(43)35-18(11-15(2)3)26(41)34-17(8-9-22(31)39)29-36-19(14-46-29)25(40)32-12-23-33-20(13-45-23)27(42)37-24/h13-18,21,24H,5-12H2,1-4H3,(H2,31,39)(H,32,40)(H,34,41)(H,35,43)(H,37,42)/t16?,17-,18-,21-,24-/m0/s1
InChIKeyMQRGSRJNNVRQHQ-UNKLHJSVSA-N
Species of MetaboliteComponentSourceComments
Lyngbya majuscula (ncbitaxon:158786) - PubMed (10691729)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Homodolastatin 3 (CHEBI:224515) is a peptide (CHEBI:16670)
IUPAC Name 
3-[(11S,17S,20S,23S)-11-butan-2-yl-20-(2-methylpropyl)-2,9,12,18,21-pentaoxo-6,25-dithia-3,10,13,19,22,27,28-heptazatetracyclo[22.2.1.15,8.013,17]octacosa-1(26),5(28),7,24(27)-tetraen-23-yl]propanamide
Manual XrefsDatabases
24713044ChemSpider