Molecule

Myxochromide S2

AlkaPlorer ID: AK054340

Synonym: None

IUPAC Name: (2E,4E,6E,8E,10E,12E,14E)-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-methylheptadeca-2,4,6,8,10,12,14-heptaenamide

Structure

SMILES: CC/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/C39H56N6O8/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-33(47)45(7)34-29(6)53-39(52)30(23-24-32(40)46)43-36(49)28(5)41-35(48)27(4)42-37(50)31(25-26(2)3)44-38(34)51/h9-22,26-31,34H,8,23-25H2,1-7H3,(H2,40,46)(H,41,48)(H,42,50)(H,43,49)(H,44,51)/b10-9+,12-11+,14-13+,16-15+,18-17+,20-19+,22-21+/t27-,28-,29+,30-,31-,34-/m0/s1

InChIKey: XDRGEWSCPMOTER-NDSCBTMZSA-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: 23724552

LOTUS: LTS0258948

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NPAtlas: NPA019586

Source

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

Properties Information

Molecule Weight: 736.9110000000001

TPSA？: 221.05

MolLogP？: 6.763870000000006

Number of H-Donors: 6

Number of H-Acceptors: 8

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi