CHEBI:214688 - Homodolastatin 16

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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 16
ChEBI ID CHEBI:214688
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C48H72N6O10
Net Charge 0
Average Mass 893.136
Monoisotopic Mass 892.53099
InChI InChI=1S/C48H72N6O10/c1-11-29(6)39-45(59)53-24-16-21-35(53)42(56)50-38(30(7)26-33-18-13-12-14-19-33)44(58)52-23-15-20-34(52)41(55)49-37(27(2)3)31(8)47(61)63-32(9)43(57)54-25-17-22-36(54)48(62)64-40(28(4)5)46(60)51(39)10/h12-14,18-19,27-32,34-40H,11,15-17,20-26H2,1-10H3,(H,49,55)(H,50,56)/t29-,30?,31?,32?,34+,35+,36+,37?,38?,39-,40-/m1/s1
InChIKey FHDYETHRKSGXJQ-BHNJPRHWSA-N
SMILES O=C1OC(C(=O)N2[C@H](C(=O)O[C@@H](C(=O)N([C@@H](C(=O)N3[C@H](C(NC(C(N4[C@H](C(NC(C1C)C(C)C)=O)CCC4)=O)C(CC5=CC=CC=C5)C)=O)CCC3)[C@@H](CC)C)C)C(C)C)CCC2)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 16 (CHEBI:214688) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(6S,12R,15R,18S,31S)-12-[(2R)-butan-2-yl]-13,24,27-trimethyl-3-(1-phenylpropan-2-yl)-15,28-di(propan-2-yl)-16,25-dioxa-1,4,10,13,22,29-hexazatetracyclo[29.3.0.06,10.018,22]tetratriacontane-2,5,11,14,17,23,26,30-octone
Manual Xref Database
10258245 ChemSpider
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