CHEBI:224515 - Homodolastatin 3

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Homodolastatin 3
ChEBI ID CHEBI:224515
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C30H42N8O6S2
Net Charge 0
Average Mass 674.840
Monoisotopic Mass 674.26687
InChI InChI=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
InChIKey MQRGSRJNNVRQHQ-UNKLHJSVSA-N
SMILES S1C2=NC(=C1)C(=O)NCC=3SC=C(N3)C(=O)N[C@H](C(N4[C@H](C(N[C@H](C(N[C@H]2CCC(=O)N)=O)CC(C)C)=O)CCC4)=O)C(CC)C
Metabolite of Species Details
Lyngbya majuscula (NCBI:txid158786) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
24713044 ChemSpider
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