AntibioticMech

cadaside B

antibioticmech:aro-36682fe25f ·ANTIBACTERIAL ·MINTED SEEDED

Cadasides are lipopeptides with antibiotic activity. — PMID:36168660

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

nonribosomal peptide antibioticsARO:3009657

Strictly broader compounds or drug classes this molecule belongs to.

Chemical structure

Computed structure properties
Molecular formulaC68H97N13O28
Charge0
Average mass1544.6 Da
Monoisotopic mass1543.65659949 Da
SourcePubChem · retrieved 2026-08-29
InChIKeyBCKHSEAEFWMDKN-JBUYWEPMSA-N

SMILES

CC[C@@H](C)[C@@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](C(=O)N[C@H](C(=O)N(CC(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](C)CNC(=O)/C=C\C=C\CCC(C)C)C)C)C[C@H](C(=O)O)O)CCC(=O)O)[C@H](C(=O)O)O)CC(=O)O

InChI

InChI=1S/C68H97N13O28/c1-8-34(4)53-63(101)75-42(28-51(91)92)61(99)79-55(56(94)68(107)108)66(104)81-25-13-15-44(81)62(100)71-31-48(86)73-40(22-24-50(89)90)59(97)76-43(27-45(83)67(105)106)65(103)80(7)32-52(93)109-36(6)54(64(102)77-53)78-60(98)41(26-37-17-19-38(82)20-18-37)74-58(96)39(21-23-49(87)88)72-47(85)30-70-57(95)35(5)29-69-46(84)16-12-10-9-11-14-33(2)3/h9-10,12,16-20,33-36,39-45,53-56,82-83,94H,8,11,13-15,21-32H2,1-7H3,(H,69,84)(H,70,95)(H,71,100)(H,72,85)(H,73,86)(H,74,96)(H,75,101)(H,76,97)(H,77,102)(H,78,98)(H,79,99)(H,87,88)(H,89,90)(H,91,92)(H,105,106)(H,107,108)/b10-9+,16-12-/t34-,35-,36-,39-,40-,41+,42+,43+,44+,45-,53-,54+,55+,56-/m1/s1

Cross-references

Equivalent identifiers for this same structure in other resources.

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
SourceNative IDLabelMinted CURIEVersion
ARO ARO:3007631 cadaside B antibioticmech:aro-36682fe25f 2026-08-30

Curation history

  1. SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

    Seeded from data/raw/ inventories (ARO)

  2. RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

    Re-seeded from updated data/raw/ inventories

  3. RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

    Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record.