3'-deoxydihydrostreptomycin 3'',6-bisphosphate

CHEBI:27944 ·resolve ·ANTIMICROBIAL_UNSPECIFIED ·EXACT SEEDED

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

Strictly broader compounds or drug classes this molecule belongs to.

CHEBI:19848 CHEBI:19848
CHEBI:26787 CHEBI:26787

Chemical structure

Computed structure properties
Molecular formula	C21H43N7O17P2
Charge	0
Average mass	727.555 Da
Monoisotopic mass	727.21907 Da
Source	ChEBI
InChIKey	PVNBAUCASRIGKP-AWMQQPGVSA-N

SMILES

CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](OP(=O)(O)O)[C@H](NC(=N)N)[C@@H](O)[C@@H]3NC(=N)N)O[C@@H](C)[C@@H]2CO)O[C@@H](CO)[C@H](O)[C@H]1OP(=O)(O)O

InChI

InChI=1S/C21H43N7O17P2/c1-5-6(3-29)14(42-18-10(26-2)17(45-47(37,38)39)11(31)7(4-30)41-18)19(40-5)43-15-8(27-20(22)23)12(32)9(28-21(24)25)16(13(15)33)44-46(34,35)36/h5-19,26,29-33H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)(H2,34,35,36)(H2,37,38,39)/t5-,6-,7-,8-,9+,10-,11-,12-,13-,14+,15+,16-,17-,18-,19-/m0/s1

Also called

(1S,2R,3S,4S,5R,6S)-2,4-dicarbamimidamido-5-({3,5-dideoxy-2-O-[2-deoxy-2-(methylamino)-3-O-phosphono-α-L-glucopyranosyl]-3-(hydroxymethyl)-α-L-arabinofuranosyl}oxy)-3,6-dihydroxycyclohexyl dihydrogen phosphate (EXACT_SYNONYM)— chebi
3'-Deoxydihydrostreptomycin 6,3''-bis-phosphate (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

kegg.compound:C04660

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

CHEBI:33281 CHEBI:33281

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
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:27944`	3'-deoxydihydrostreptomycin 3'',6-bisphosphate	`antibioticmech:chebi-71a4f18e64`	2026-08-30

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
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.