Aeruginopeptin 917S-B
AlkaPlorer ID: AK013397
Synonym: None
IUPAC Name: (2S)-N-[(2S,5S,8S,11R,12S)-8-butan-2-yl-21-hydroxy-15-[(4-hydroxycyclohex-2-en-1-yl)methyl]-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]pentanediamide
Structure
SMILES: CCC(C)[C@@H]1N=C(O)[C@H](CC2=CC=C(O)C=C2)N(C)C(=O)[C@H](CC(C)C)N2C(=O)C(CCC2O)N=C(O)C(CC2C=CC(O)CC2)N=C(O)[C@@H](N=C(O)[C@H](CCC(=N)O)N=C(O)C(O)CC2=CC=C(O)C=C2)[C@@H](C)OC1=O
InChI: InChI=1S/C54H76N8O15/c1-7-29(4)45-54(76)77-30(5)46(60-47(69)37(20-22-43(55)67)56-50(72)42(66)27-33-12-18-36(65)19-13-33)51(73)58-39(25-31-8-14-34(63)15-9-31)48(70)57-38-21-23-44(68)62(52(38)74)41(24-28(2)3)53(75)61(6)40(49(71)59-45)26-32-10-16-35(64)17-11-32/h8,10-14,16-19,28-31,34,37-42,44-46,63-66,68H,7,9,15,20-27H2,1-6H3,(H2,55,67)(H,56,72)(H,57,70)(H,58,73)(H,59,71)(H,60,69)/t29?,30-,31?,34?,37+,38?,39?,40+,41+,42?,44?,45+,46+/m1/s1
InChIKey: OZABBUPKYTXOSK-FAXLDAIESA-N
Reference
Co‐production of microcystins and aeruginopeptins by natural cyanobacterial bloom
PubChem CID: 139585841
LOTUS: LTS0157210
{NPAtlas: NPA009923
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Microcystis sp. | Microcystis | Microcystaceae | Chroococcales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 1077.243
TPSA？: 375.1
MolLogP？: 5.075970000000008
Number of H-Donors: 12
Number of H-Acceptors: 15
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|