PCIDB

KNApSAcK Metabolite C00031564

Metabolite

KNApSAcK Entry

id C00031564
Name Aeruginopeptin 228-A
CAS RN 152510-33-3
Standard InChI InChI=1S/C52H68N8O15/c1-6-27(2)42-52(74)75-29(4)43(58-45(67)35(20-22-40(53)65)54-48(70)39(64)26-32-14-18-34(63)19-15-32)49(71)56-37(24-31-12-16-33(62)17-13-31)46(68)55-36-21-23-41(66)60(50(36)72)44(28(3)61)51(73)59(5)38(47(69)57-42)25-30-10-8-7-9-11-30/h7-19,27-29,35-39,41-44,61-64,66H,6,20-26H2,1-5H3,(H2,53,65)(H,54,70)(H,55,68)(H,56,71)(H,57,69)(H,58,67)/t27-,28+,29+,35?,36-,37-,38-,39+,41+,42-,43-,44-/m0/s1
Standard InChI (Main Layer) InChI=1S/C52H68N8O15/c1-6-27(2)42-52(74)75-29(4)43(58-45(67)35(20-22-40(53)65)54-48(70)39(64)26-32-14-18-34(63)19-15-32)49(71)56-37(24-31-12-16-33(62)17-13-31)46(68)55-36-21-23-41(66)60(50(36)72)44(28(3)61)51(73)59(5)38(47(69)57-42)25-30-10-8-7-9-11-30/h7-19,27-29,35-39,41-44,61-64,66H,6,20-26H2,1-5H3,(H2,53,65)(H,54,70)(H,55,68)(H,56,71)(H,57,69)(H,58,67)

Cluster

Phytochemical cluster
KCF-S cluster No. 116

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB C15746

CTD

By CAS RN

Species

Summary

Plant class

class name count

Family

family name count

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Microcystis aeruginosa M228
Microcystis aeruginosa TAC95 449519 Bacteria