Molecule

Myxochromide S3

AlkaPlorer ID: AK050427

Synonym: None

IUPAC Name: (2E,4E,6E,8E,10E,12E,14E,16E)-N-[(3S,6S,9S,12S,15S,16R)-3-(3-amino-3-oxopropyl)-6,9,16-trimethyl-12-(2-methylpropyl)-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]-N-methyloctadeca-2,4,6,8,10,12,14,16-octaenamide

Structure

SMILES: C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)N(C)[C@@H]1C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](C)C(O)=N[C@@H](C)C(O)=N[C@@H](CCC(=N)O)C(=O)O[C@@H]1C

InChI: InChI=1S/C40H56N6O8/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(48)46(7)35-30(6)54-40(53)31(24-25-33(41)47)44-37(50)29(5)42-36(49)28(4)43-38(51)32(26-27(2)3)45-39(35)52/h8-23,27-32,35H,24-26H2,1-7H3,(H2,41,47)(H,42,49)(H,43,51)(H,44,50)(H,45,52)/b9-8+,11-10+,13-12+,15-14+,17-16+,19-18+,21-20+,23-22+/t28-,29-,30+,31-,32-,35-/m0/s1

InChIKey: OPTHDMYHZAOJMC-GHQGPCFMSA-N

Reference

Structure and Biosynthesis of Myxochromides S<sub>1–3</sub> in <i>Stigmatella aurantiaca</i>: Evidence for an Iterative Bacterial Type I Polyketide Synthase and for Module Skipping in Nonribosomal Peptide Biosynthesis

PubChem CID: 23724553

LOTUS: LTS0059949

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NPAtlas: NPA003195

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Stigmatella	Archangiaceae	Myxococcales	Myxococcia	Myxococcota	None	Bacteria

Properties Information

Molecule Weight: 748.922

TPSA？: 221.05

MolLogP？: 6.929970000000006

Number of H-Donors: 6

Number of H-Acceptors: 8

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi