CHEBI:224353 - SNA-60-367-4

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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-60-367-4
ChEBI ID CHEBI:224353
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C73H112N12O20
Net Charge 0
Average Mass 1477.763
Monoisotopic Mass 1476.81158
InChI InChI=1S/C73H112N12O20/c1-7-43(5)62-73(104)105-49-29-25-46(26-30-49)40-56(81-64(95)51(21-17-37-74)78-65(96)52(32-35-60(91)92)76-59(90)41-48(88)20-16-14-12-10-9-11-13-15-19-42(3)4)69(100)84-63(44(6)86)71(102)80-54(33-36-61(93)94)66(97)77-50(8-2)72(103)85-38-18-22-57(85)70(101)79-53(31-34-58(75)89)67(98)82-55(68(99)83-62)39-45-23-27-47(87)28-24-45/h23-30,42-44,48,50-57,62-63,86-88H,7-22,31-41,74H2,1-6H3,(H2,75,89)(H,76,90)(H,77,97)(H,78,96)(H,79,101)(H,80,102)(H,81,95)(H,82,98)(H,83,99)(H,84,100)(H,91,92)(H,93,94)
InChIKey ZKWWUFCVOMZIEY-UHFFFAOYSA-N
SMILES O=C1OC2=CC=C(CC(NC(=O)C(NC(=O)C(NC(=O)CC(O)CCCCCCCCCCC(C)C)CCC(=O)O)CCCN)C(=O)NC(C(=O)NC(C(=O)NC(C(N3C(C(NC(C(NC(C(NC1C(CC)C)=O)CC4=CC=C(O)C=C4)=O)CCC(=O)N)=O)CCC3)=O)CC)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-60-367-4 (CHEBI:224353) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
5-[[5-amino-1-[[10-(3-amino-3-oxopropyl)-4-butan-2-yl-22-(2-carboxyethyl)-19-ethyl-25-(1-hydroxyethyl)-7-[(4-hydroxyphenyl)methyl]-3,6,9,12,18,21,24,27-octaoxo-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-hydroxy-14-methylpentadecanoyl)amino]-5-oxopentanoic acid
Manual Xref Database
78444943 ChemSpider
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