CHEBI:224325 - SNA-60-367-11

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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-60-367-11
ChEBI ID CHEBI:224325
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C75H116N12O20
Net Charge 0
Average Mass 1505.817
Monoisotopic Mass 1504.84288
InChI InChI=1S/C75H116N12O20/c1-7-20-56-74(105)87-40-19-24-59(87)72(103)80-54(33-36-60(77)91)69(100)84-57(41-47-25-29-49(89)30-26-47)70(101)85-64(45(5)8-2)75(106)107-51-31-27-48(28-32-51)42-58(71(102)86-65(46(6)88)73(104)81-55(68(99)82-56)35-38-63(95)96)83-66(97)52(23-18-39-76)79-67(98)53(34-37-62(93)94)78-61(92)43-50(90)22-17-15-13-11-9-10-12-14-16-21-44(3)4/h25-32,44-46,50,52-59,64-65,88-90H,7-24,33-43,76H2,1-6H3,(H2,77,91)(H,78,92)(H,79,98)(H,80,103)(H,81,104)(H,82,99)(H,83,97)(H,84,100)(H,85,101)(H,86,102)(H,93,94)(H,95,96)
InChIKey MMSXAXQLKQFZMQ-UHFFFAOYSA-N
SMILES O=C1OC2=CC=C(CC(NC(=O)C(NC(=O)C(NC(=O)CC(O)CCCCCCCCCCCC(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)CCC)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-60-367-11 (CHEBI:224325) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
5-[[5-amino-1-[[10-(3-amino-3-oxopropyl)-4-butan-2-yl-22-(2-carboxyethyl)-25-(1-hydroxyethyl)-7-[(4-hydroxyphenyl)methyl]-3,6,9,12,18,21,24,27-octaoxo-19-propyl-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-15-methylhexadecanoyl)amino]-5-oxopentanoic acid
Manual Xref Database
78444938 ChemSpider
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