CHEBI:224341 - SNA-60-367-8

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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 SNA-60-367-8
ChEBI ID CHEBI:224341
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C74H114N12O20
Net Charge 0
Average Mass 1491.790
Monoisotopic Mass 1490.82723
InChI InChI=1S/C74H114N12O20/c1-7-8-9-10-11-12-13-14-15-16-17-18-21-49(89)42-59(91)77-52(33-36-60(92)93)66(97)78-51(22-19-38-75)65(96)81-56-41-47-26-30-50(31-27-47)106-74(105)63(44(4)5)84-69(100)55(40-46-24-28-48(88)29-25-46)82-67(98)53(32-35-58(76)90)79-71(102)57-23-20-39-86(57)73(104)62(43(2)3)83-68(99)54(34-37-61(94)95)80-72(103)64(45(6)87)85-70(56)101/h24-31,43-45,49,51-57,62-64,87-89H,7-23,32-42,75H2,1-6H3,(H2,76,90)(H,77,91)(H,78,97)(H,79,102)(H,80,103)(H,81,96)(H,82,98)(H,83,99)(H,84,100)(H,85,101)(H,92,93)(H,94,95)
InChIKey LHAAAQHVADRZQQ-UHFFFAOYSA-N
SMILES O=C1OC2=CC=C(CC(NC(=O)C(NC(=O)C(NC(=O)CC(O)CCCCCCCCCCCCCC)CCC(=O)O)CCCN)C(=O)NC(C(=O)NC(C(=O)NC(C(N3C(C(NC(C(NC(C(NC1C(C)C)=O)CC4=CC=C(O)C=C4)=O)CCC(=O)N)=O)CCC3)=O)C(C)C)CCC(=O)O)C(O)C)C=C2
Metabolite of Species Details
Bacillus (NCBI:txid1386) 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 SNA-60-367-8 (CHEBI:224341) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
5-[[5-amino-1-[[10-(3-amino-3-oxopropyl)-22-(2-carboxyethyl)-25-(1-hydroxyethyl)-7-[(4-hydroxyphenyl)methyl]-3,6,9,12,18,21,24,27-octaoxo-4,19-di(propan-2-yl)-2-oxa-5,8,11,17,20,23,26-heptazatricyclo[28.2.2.013,17]tetratriaconta-1(33),30(34),31-trien-28-yl]amino]-1-oxopentan-2-yl]amino]-4-(3-hydroxyheptadecanoylamino)-5-oxopentanoic acid
Manual Xref Database
78444941 ChemSpider
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