CHEBI:224310 - SNA-60-367-17

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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-60-367-17
ChEBI ID CHEBI:224310
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C74H114N12O19
Net Charge 0
Average Mass 1475.791
Monoisotopic Mass 1474.83232
InChI InChI=1S/C74H114N12O19/c1-8-45(6)63-74(104)105-50-31-27-48(28-32-50)42-56(81-65(95)51(22-19-39-75)78-66(96)52(34-37-60(91)92)77-59(90)24-18-16-14-12-10-9-11-13-15-17-21-43(2)3)70(100)85-64(46(7)87)72(102)80-54(35-38-61(93)94)68(98)83-62(44(4)5)73(103)86-40-20-23-57(86)71(101)79-53(33-36-58(76)89)67(97)82-55(69(99)84-63)41-47-25-29-49(88)30-26-47/h25-32,43-46,51-57,62-64,87-88H,8-24,33-42,75H2,1-7H3,(H2,76,89)(H,77,90)(H,78,96)(H,79,101)(H,80,102)(H,81,95)(H,82,97)(H,83,98)(H,84,99)(H,85,100)(H,91,92)(H,93,94)
InChIKey NBIYGOFEGHWDDV-UHFFFAOYSA-N
SMILES O=C1OC2=CC=C(CC(NC(=O)C(NC(=O)C(NC(=O)CCCCCCCCCCCCC(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)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-60-367-17 (CHEBI:224310) 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-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-(14-methylpentadecanoylamino)-5-oxopentanoic acid
Manual Xref Database
78444935 ChemSpider
View more database links