CHEBI:203041 - Salinamide D

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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 Salinamide D
ChEBI ID CHEBI:203041
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C50H67N7O15
Net Charge 0
Average Mass 1006.120
Monoisotopic Mass 1005.46951
InChI InChI=1S/C50H67N7O15/c1-25(2)38-45(64)56-41-32-15-17-33(18-16-32)72-30(8)50(24-70-50)20-19-36(59)51-22-37(60)69-23-34(49(68)71-29(7)40(47(66)53-38)55-43(62)27(5)42(61)26(3)4)52-46(65)39(28(6)58)54-44(63)35(57(9)48(41)67)21-31-13-11-10-12-14-31/h10-20,25-30,34-35,38-42,58,61H,21-24H2,1-9H3,(H,51,59)(H,52,65)(H,53,66)(H,54,63)(H,55,62)(H,56,64)/b20-19-/t27-,28+,29-,30-,34+,35+,38-,39-,40+,41+,42-,50+/m1/s1
InChIKey BZSPUVXYOYRBCS-SPORLFEBSA-N
SMILES O=C1NCC(=O)OC[C@@H]2NC(=O)[C@H](NC(=O)[C@H](CC3=CC=CC=C3)N(C([C@H](C4=CC=C(O[C@@H]([C@@]5(C=C1)OC5)C)C=C4)NC(=O)[C@H](NC([C@H]([C@H](OC2=O)C)NC(=O)[C@@H]([C@H](O)C(C)C)C)=O)C(C)C)=O)C)[C@@H](O)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: DOI
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 Salinamide D (CHEBI:203041) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(2R,3R)-N-[(1S,7R,8S,9Z,17S,20R,21S,24R,29S,32R)-29-benzyl-32-[(1S)-1-hydroxyethyl]-7,20,28-trimethyl-11,14,18,22,25,27,30,33-octaoxo-24-propan-2-ylspiro[6,15,19-trioxa-12,23,26,28,31,34-hexazatricyclo[15.9.8.22,5]hexatriaconta-2(36),3,5(35),9-tetraene-8,2'-oxirane]-21-yl]-3-hydroxy-2,4-dimethylpentanamide
Manual Xref Database
78436954 ChemSpider
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